CID 6862299

N'-(4-(dimethylamino)benzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H18N6O3
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O3/c1-24(2)15-8-6-13(7-9-15)12-20-23-19(26)18-11-17(21-22-18)14-4-3-5-16(10-14)25(27)28/h3-12H,1-2H3,(H,21,22)(H,23,26)/b20-12+
InChIKey
AHWGVFPHJPUSCM-UDWIEESQSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15132 184.9
[M+Na]+ 401.13326 188.2
[M-H]- 377.13676 193.8
[M+NH4]+ 396.17786 193.7
[M+K]+ 417.10720 180.4
[M+H-H2O]+ 361.14130 177.9
[M+HCOO]- 423.14224 210.9
[M+CH3COO]- 437.15789 220.7
[M+Na-2H]- 399.11871 190.6
[M]+ 378.14349 182.7
[M]- 378.14459 182.7
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.