CID 3080382

128056-03-1

Structural Information

Molecular Formula
C19H27N7O5
SMILES
CCCN1C(=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/c1-2-5-26-15(27)8-12(24-19(26)31)17(29)23-13(7-11-9-21-10-22-11)18(30)25-6-3-4-14(25)16(20)28/h9-10,12-14H,2-8H2,1H3,(H2,20,28)(H,21,22)(H,23,29)(H,24,31)/t12-,13-,14-/m0/s1
InChIKey
PMFZEXFSORBYMD-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-propyl-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20737 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21465 197.4
[M+Na]+ 456.19659 199.3
[M+NH4]+ 451.24119 196.7
[M+K]+ 472.17053 204.1
[M-H]- 432.20009 194.5
[M+Na-2H]- 454.18204 195.5
[M]+ 433.20682 195.5
[M]- 433.20792 195.5
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.