CID 5272462

N-[3-[4-(2-aminothiazol-4-yl)anilino]-3-oxo-propyl]-n-[(3-fluorophenyl)methyl]benzamide

Structural Information

Molecular Formula
C26H23FN4O2S
SMILES
C1=CC=C(C=C1)C(=O)N(CCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)CC4=CC(=CC=C4)F
InChI
InChI=1S/C26H23FN4O2S/c27-21-8-4-5-18(15-21)16-31(25(33)20-6-2-1-3-7-20)14-13-24(32)29-22-11-9-19(10-12-22)23-17-34-26(28)30-23/h1-12,15,17H,13-14,16H2,(H2,28,30)(H,29,32)
InChIKey
YGDVKUTYBNBXPI-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-[(3-fluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.15988 212.0
[M+Na]+ 497.14182 216.1
[M-H]- 473.14532 222.7
[M+NH4]+ 492.18642 219.3
[M+K]+ 513.11576 209.7
[M+H-H2O]+ 457.14986 200.1
[M+HCOO]- 519.15080 230.0
[M+CH3COO]- 533.16645 219.4
[M+Na-2H]- 495.12727 210.0
[M]+ 474.15205 212.3
[M]- 474.15315 212.3
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.