CID 135683064

303106-90-3

Structural Information

Molecular Formula
C19H17N5O5
SMILES
C/C(=N\NC(=O)C1=CC(=NN1)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H17N5O5/c1-11(12-6-7-17(25)18(9-12)29-2)20-23-19(26)16-10-15(21-22-16)13-4-3-5-14(8-13)24(27)28/h3-10,25H,1-2H3,(H,21,22)(H,23,26)/b20-11+
InChIKey
TUZKINJRFUCIOQ-RGVLZGJSSA-N
Compound name
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.12296 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13024 187.3
[M+Na]+ 418.11218 191.0
[M-H]- 394.11568 194.0
[M+NH4]+ 413.15678 194.5
[M+K]+ 434.08612 183.0
[M+H-H2O]+ 378.12022 181.2
[M+HCOO]- 440.12116 209.7
[M+CH3COO]- 454.13681 216.6
[M+Na-2H]- 416.09763 191.3
[M]+ 395.12241 185.2
[M]- 395.12351 185.2
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.