CID 490003

N-[(1s)-1-benzyl-2-[[(1s)-1-formyl-3-methyl-butyl]amino]-2-oxo-ethyl]pyrazine-2-carboxamide

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C20H24N4O3/c1-14(2)10-16(13-25)23-19(26)17(11-15-6-4-3-5-7-15)24-20(27)18-12-21-8-9-22-18/h3-9,12-14,16-17H,10-11H2,1-2H3,(H,23,26)(H,24,27)/t16-,17-/m0/s1
InChIKey
ZUHDVKPUOYOTAC-IRXDYDNUSA-N
Compound name
N-[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.18484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 189.2
[M+Na]+ 391.17406 190.5
[M-H]- 367.17756 192.0
[M+NH4]+ 386.21866 196.8
[M+K]+ 407.14800 187.7
[M+H-H2O]+ 351.18210 178.4
[M+HCOO]- 413.18304 207.2
[M+CH3COO]- 427.19869 222.1
[M+Na-2H]- 389.15951 189.8
[M]+ 368.18429 188.8
[M]- 368.18539 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.