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 185.7
[M+Na]+ 401.13326 197.0
[M+NH4]+ 396.17786 190.8
[M+K]+ 417.10720 195.8
[M-H]- 377.13676 192.3
[M+Na-2H]- 399.11871 194.0
[M]+ 378.14349 188.6
[M]- 378.14459 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.