CID 5272310

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-benzamide

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2S/c26-25-28-22(17-32-25)19-11-13-21(14-12-19)27-23(30)16-29(15-18-7-3-1-4-8-18)24(31)20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H2,26,28)(H,27,30)
InChIKey
PPHOGKMUWAONMJ-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14636 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15364 204.6
[M+Na]+ 465.13558 208.3
[M-H]- 441.13908 216.5
[M+NH4]+ 460.18018 213.0
[M+K]+ 481.10952 202.5
[M+H-H2O]+ 425.14362 193.7
[M+HCOO]- 487.14456 224.0
[M+CH3COO]- 501.16021 212.7
[M+Na-2H]- 463.12103 204.3
[M]+ 442.14581 205.1
[M]- 442.14691 205.1
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.