CID 6440067

(2e,4e)-n-[[(2r,3s,4r,5r)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(1s)-2-[(1r)-2-[(1r)-2-[(1r,2s)-2-[(e)-2-[(1r,2r)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide

Structural Information

Molecular Formula
C32H43N3O6
SMILES
C[C@@H]1C[C@H]1/C=C/[C@@H]2C[C@H]2C3C[C@H]3C4C[C@H]4C5C[C@H]5/C=C/C=C/C(=O)NC[C@@H]6[C@H]([C@H]([C@@H](O6)N7CCC(=O)NC7=O)O)O
InChI
InChI=1S/C32H43N3O6/c1-16-10-17(16)6-7-19-12-21(19)23-14-25(23)24-13-22(24)20-11-18(20)4-2-3-5-27(36)33-15-26-29(38)30(39)31(41-26)35-9-8-28(37)34-32(35)40/h2-7,16-26,29-31,38-39H,8-15H2,1H3,(H,33,36)(H,34,37,40)/b4-2+,5-3+,7-6+/t16-,17-,18-,19-,20?,21-,22+,23?,24?,25-,26-,29-,30-,31-/m1/s1
InChIKey
QOOORVUXEUQEKV-WUUQHQPQSA-N
Compound name
(2E,4E)-N-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-5-[(1S)-2-[(1R)-2-[(1R)-2-[(1R,2S)-2-[(E)-2-[(1R,2R)-2-methylcyclopropyl]ethenyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

565.3152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.32248 107.1
[M+Na]+ 588.30442 111.8
[M+NH4]+ 583.34902 110.0
[M+K]+ 604.27836 116.8
[M-H]- 564.30792 117.2
[M+Na-2H]- 586.28987 116.2
[M]+ 565.31465 111.8
[M]- 565.31575 111.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.