CID 6862307

3-(3-nitrophenyl)-n'-(3-phenyl-2-propenylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H15N5O3
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15N5O3/c25-19(23-20-11-5-8-14-6-2-1-3-7-14)18-13-17(21-22-18)15-9-4-10-16(12-15)24(26)27/h1-13H,(H,21,22)(H,23,25)/b8-5+,20-11+
InChIKey
XSRIWPBWVPPKMP-JNJFRLMHSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.12478 181.7
[M+Na]+ 384.10672 185.4
[M-H]- 360.11022 188.9
[M+NH4]+ 379.15132 190.7
[M+K]+ 400.08066 175.4
[M+H-H2O]+ 344.11476 175.0
[M+HCOO]- 406.11570 206.5
[M+CH3COO]- 420.13135 209.8
[M+Na-2H]- 382.09217 187.8
[M]+ 361.11695 177.8
[M]- 361.11805 177.8
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.