CID 2854768

3-methyl-1-phenyl-n-{4-[(e)-phenyldiazenyl]phenyl}-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C25H19N5OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H19N5OS/c1-17-22-16-23(32-25(22)30(29-17)21-10-6-3-7-11-21)24(31)26-18-12-14-20(15-13-18)28-27-19-8-4-2-5-9-19/h2-16H,1H3,(H,26,31)
InChIKey
FFQDNOMGHJIZFU-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-N-(4-phenyldiazenylphenyl)thieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.13104 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13832 202.1
[M+Na]+ 460.12026 217.4
[M+NH4]+ 455.16486 210.4
[M+K]+ 476.09420 209.4
[M-H]- 436.12376 212.2
[M+Na-2H]- 458.10571 214.6
[M]+ 437.13049 207.7
[M]- 437.13159 207.7
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.