CID 6862318

307975-91-3

Structural Information

Molecular Formula
C20H17N5O4
SMILES
COC1=CC=CC=C1/C=C/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H17N5O4/c1-29-19-10-3-2-6-14(19)8-5-11-21-24-20(26)18-13-17(22-23-18)15-7-4-9-16(12-15)25(27)28/h2-13H,1H3,(H,22,23)(H,24,26)/b8-5+,21-11+
InChIKey
BROVGHOBXDWSTP-JPDQMXGXSA-N
Compound name
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12805 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.13533 190.0
[M+Na]+ 414.11727 201.7
[M+NH4]+ 409.16187 194.3
[M+K]+ 430.09121 199.8
[M-H]- 390.12077 195.2
[M+Na-2H]- 412.10272 197.4
[M]+ 391.12750 192.5
[M]- 391.12860 192.5
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.