CID 5272343

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

Structural Information

Molecular Formula
C25H21FN4O2S
SMILES
C1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H21FN4O2S/c26-20-10-6-17(7-11-20)14-30(24(32)19-4-2-1-3-5-19)15-23(31)28-21-12-8-18(9-13-21)22-16-33-25(27)29-22/h1-13,16H,14-15H2,(H2,27,29)(H,28,31)
InChIKey
QAFZJNGETMHZDN-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13693 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14421 207.9
[M+Na]+ 483.12615 212.5
[M-H]- 459.12965 218.8
[M+NH4]+ 478.17075 215.8
[M+K]+ 499.10009 206.2
[M+H-H2O]+ 443.13419 196.2
[M+HCOO]- 505.13513 226.3
[M+CH3COO]- 519.15078 215.7
[M+Na-2H]- 481.11160 206.4
[M]+ 460.13638 207.9
[M]- 460.13748 207.9
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.