CID 5450472

3-(3-nitrophenyl)-n-[(e)-(4-propan-2-ylphenyl)methylideneamino]-1h-pyrazole-5-carboxamide

Structural Information

Molecular Formula
C20H19N5O3
SMILES
CC(C)C1=CC=C(C=C1)/C=N\NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19N5O3/c1-13(2)15-8-6-14(7-9-15)12-21-24-20(26)19-11-18(22-23-19)16-4-3-5-17(10-16)25(27)28/h3-13H,1-2H3,(H,22,23)(H,24,26)/b21-12-
InChIKey
KEDUWTQVVWTCOQ-MTJSOVHGSA-N
Compound name
3-(3-nitrophenyl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

377.1488 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 187.2
[M+Na]+ 400.13802 199.0
[M+NH4]+ 395.18262 192.3
[M+K]+ 416.11196 197.5
[M-H]- 376.14152 193.0
[M+Na-2H]- 398.12347 194.9
[M]+ 377.14825 190.0
[M]- 377.14935 190.0
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.