CID 3080376

128055-85-6

Structural Information

Molecular Formula
C19H27N7O5
SMILES
CN1CCC[C@H]1C(=O)N(C)C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CC(=O)N(C(=O)N3)C
InChI
InChI=1S/C19H27N7O5/c1-24-6-4-5-14(24)18(30)26(3)17(29)13(7-11-9-20-10-21-11)22-16(28)12-8-15(27)25(2)19(31)23-12/h9-10,12-14H,4-8H2,1-3H3,(H,20,21)(H,22,28)(H,23,31)/t12?,13-,14-/m0/s1
InChIKey
AKYDUPRENMRLHD-TTZKSVMKSA-N
Compound name
N-[(2S)-3-(1H-imidazol-5-yl)-1-[methyl-[(2S)-1-methylpyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20737 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21465 196.0
[M+Na]+ 456.19659 198.4
[M+NH4]+ 451.24119 195.7
[M+K]+ 472.17053 203.4
[M-H]- 432.20009 193.6
[M+Na-2H]- 454.18204 194.9
[M]+ 433.20682 194.3
[M]- 433.20792 194.3
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.