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 203.0
[M+Na]+ 460.12026 212.4
[M-H]- 436.12376 218.3
[M+NH4]+ 455.16486 215.1
[M+K]+ 476.09420 205.6
[M+H-H2O]+ 420.12830 192.6
[M+HCOO]- 482.12924 227.2
[M+CH3COO]- 496.14489 213.9
[M+Na-2H]- 458.10571 205.3
[M]+ 437.13049 208.7
[M]- 437.13159 208.7
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.