CID 3080386

128056-07-5

Structural Information

Molecular Formula
C23H27N7O5
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C23H27N7O5/c24-20(32)18-7-4-8-29(18)22(34)17(9-15-11-25-13-26-15)27-21(33)16-10-19(31)30(23(35)28-16)12-14-5-2-1-3-6-14/h1-3,5-6,11,13,16-18H,4,7-10,12H2,(H2,24,32)(H,25,26)(H,27,33)(H,28,35)/t16-,17-,18-/m0/s1
InChIKey
XETGBDDYJYNADH-BZSNNMDCSA-N
Compound name
(4S)-1-benzyl-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.20737 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.21465 207.0
[M+Na]+ 504.19659 211.0
[M+NH4]+ 499.24119 206.9
[M+K]+ 520.17053 214.6
[M-H]- 480.20009 207.0
[M+Na-2H]- 502.18204 208.4
[M]+ 481.20682 206.3
[M]- 481.20792 206.3
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.