CID 9618248

303106-89-0

Structural Information

Molecular Formula
C19H17N5O4
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H17N5O4/c1-12(13-6-8-16(28-2)9-7-13)20-23-19(25)18-11-17(21-22-18)14-4-3-5-15(10-14)24(26)27/h3-11H,1-2H3,(H,21,22)(H,23,25)/b20-12+
InChIKey
FDADMNYRRQPEBO-UDWIEESQSA-N
Compound name
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13533 185.0
[M+Na]+ 402.11727 188.7
[M-H]- 378.12077 192.7
[M+NH4]+ 397.16187 193.4
[M+K]+ 418.09121 180.6
[M+H-H2O]+ 362.12531 178.6
[M+HCOO]- 424.12625 208.8
[M+CH3COO]- 438.14190 215.4
[M+Na-2H]- 400.10272 189.7
[M]+ 379.12750 183.0
[M]- 379.12860 183.0
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.