CID 511092

Chembl479921

Structural Information

Molecular Formula
C26H34N4O5
SMILES
CCCOC1=CC=C(C=C1)NC(=O)N2CCC[C@H]2C(=O)N3CC[C@H]4[C@H]3[C@@H](C(=O)N4C(=O)C5CC5)C
InChI
InChI=1S/C26H34N4O5/c1-3-15-35-19-10-8-18(9-11-19)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(2)23(31)30(20)24(32)17-6-7-17/h8-11,16-17,20-22H,3-7,12-15H2,1-2H3,(H,27,34)/t16-,20-,21-,22+/m0/s1
InChIKey
KGQCGAWCFMTRJG-IRNNPGBSSA-N
Compound name
(2S)-2-[(3aS,6S,6aR)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-N-(4-propoxyphenyl)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

482.25293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.26021 215.6
[M+Na]+ 505.24215 219.4
[M-H]- 481.24565 225.2
[M+NH4]+ 500.28675 220.2
[M+K]+ 521.21609 213.6
[M+H-H2O]+ 465.25019 208.9
[M+HCOO]- 527.25113 227.8
[M+CH3COO]- 541.26678 240.0
[M+Na-2H]- 503.22760 204.5
[M]+ 482.25238 217.1
[M]- 482.25348 217.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.