CID 3057630

74101-29-4

Structural Information

Molecular Formula
C25H17ClN4OS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C25H17ClN4OS/c26-20-13-11-18(12-14-20)21-15-23(28-24(31)19-9-5-2-6-10-19)30(29-21)25-27-22(16-32-25)17-7-3-1-4-8-17/h1-16H,(H,28,31)
InChIKey
LTJMLVVPMGKBHC-UHFFFAOYSA-N
Compound name
N-[5-(4-chlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.08115 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.08843 207.0
[M+Na]+ 479.07037 217.7
[M-H]- 455.07387 220.7
[M+NH4]+ 474.11497 216.0
[M+K]+ 495.04431 208.6
[M+H-H2O]+ 439.07841 196.5
[M+HCOO]- 501.07935 221.7
[M+CH3COO]- 515.09500 216.8
[M+Na-2H]- 477.05582 205.2
[M]+ 456.08060 212.5
[M]- 456.08170 212.5
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.