CID 3080383

128056-04-2

Structural Information

Molecular Formula
C19H27N7O5
SMILES
CC(C)N1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
InChI
InChI=1S/C19H27N7O5/c1-10(2)26-15(27)7-12(24-19(26)31)17(29)23-13(6-11-8-21-9-22-11)18(30)25-5-3-4-14(25)16(20)28/h8-10,12-14H,3-7H2,1-2H3,(H2,20,28)(H,21,22)(H,23,29)(H,24,31)/t12-,13-,14-/m0/s1
InChIKey
YXVMKWIPGWYTDG-IHRRRGAJSA-N
Compound name
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-propan-2-yl-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20737 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21465 199.3
[M+Na]+ 456.19659 199.6
[M-H]- 432.20009 200.0
[M+NH4]+ 451.24119 202.5
[M+K]+ 472.17053 196.9
[M+H-H2O]+ 416.20463 189.7
[M+HCOO]- 478.20557 207.0
[M+CH3COO]- 492.22122 229.4
[M+Na-2H]- 454.18204 190.0
[M]+ 433.20682 191.3
[M]- 433.20792 191.3
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.