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]+ 364.14043 182.6
[M+Na]+ 386.12237 186.5
[M-H]- 362.12587 190.2
[M+NH4]+ 381.16697 191.8
[M+K]+ 402.09631 177.8
[M+H-H2O]+ 346.13041 176.3
[M+HCOO]- 408.13135 206.2
[M+CH3COO]- 422.14700 213.3
[M+Na-2H]- 384.10782 187.0
[M]+ 363.13260 179.3
[M]- 363.13370 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.