CID 3057631

74101-31-8

Structural Information

Molecular Formula
C26H20N4OS
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=CC=C3)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C26H20N4OS/c1-18-12-14-20(15-13-18)22-16-24(28-25(31)21-10-6-3-7-11-21)30(29-22)26-27-23(17-32-26)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,31)
InChIKey
XFCVRFVEIIYQFM-UHFFFAOYSA-N
Compound name
N-[5-(4-methylphenyl)-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

436.13577 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14305 203.6
[M+Na]+ 459.12499 213.3
[M-H]- 435.12849 217.5
[M+NH4]+ 454.16959 212.5
[M+K]+ 475.09893 205.0
[M+H-H2O]+ 419.13303 193.0
[M+HCOO]- 481.13397 222.7
[M+CH3COO]- 495.14962 213.5
[M+Na-2H]- 457.11044 201.9
[M]+ 436.13522 207.1
[M]- 436.13632 207.1
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.