CID 5272355

Glycinamide, glycyl-n1-[4-(2-amino-4-thiazolyl)phenyl]-n2-(phenylmethyl)-

Structural Information

Molecular Formula
C20H21N5O2S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CN
InChI
InChI=1S/C20H21N5O2S/c21-10-19(27)25(11-14-4-2-1-3-5-14)12-18(26)23-16-8-6-15(7-9-16)17-13-28-20(22)24-17/h1-9,13H,10-12,21H2,(H2,22,24)(H,23,26)
InChIKey
DLQBZUVFPACSKJ-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1416 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14888 191.5
[M+Na]+ 418.13082 195.2
[M-H]- 394.13432 200.2
[M+NH4]+ 413.17542 201.8
[M+K]+ 434.10476 190.5
[M+H-H2O]+ 378.13886 181.3
[M+HCOO]- 440.13980 211.6
[M+CH3COO]- 454.15545 229.7
[M+Na-2H]- 416.11627 191.0
[M]+ 395.14105 191.2
[M]- 395.14215 191.2
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.