CID 9618249

302918-29-2

Structural Information

Molecular Formula
C19H17N5O3
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])/C
InChI
InChI=1S/C19H17N5O3/c1-12-6-8-14(9-7-12)13(2)20-23-19(25)18-11-17(21-22-18)15-4-3-5-16(10-15)24(26)27/h3-11H,1-2H3,(H,21,22)(H,23,25)/b20-13+
InChIKey
MNKYTUKREKCQCR-DEDYPNTBSA-N
Compound name
N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.13315 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.140426 182.6
[M+Na]+ 386.122368 186.5
[M-H]- 362.125874 190.2
[M+NH4]+ 381.166973 191.8
[M+K]+ 402.096308 177.8
[M+H-H2O]+ 346.130410 176.3
[M+HCOO]- 408.131351 206.2
[M+CH3COO]- 422.147001 213.3
[M+Na-2H]- 384.107816 187.0
[M]+ 363.13260142 179.3
[M]- 363.13369858 179.3
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.