CID 6877905

634896-72-3

Structural Information

Molecular Formula
C25H21N5O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H21N5O4/c1-17-5-7-18(8-6-17)16-34-22-11-9-20(10-12-22)23-14-24(28-27-23)25(31)29-26-15-19-3-2-4-21(13-19)30(32)33/h2-15H,16H2,1H3,(H,27,28)(H,29,31)/b26-15+
InChIKey
FZLUAEGCHOZWSZ-CVKSISIWSA-N
Compound name
3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.15936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.16664 208.1
[M+Na]+ 478.14858 221.8
[M+NH4]+ 473.19318 212.9
[M+K]+ 494.12252 218.6
[M-H]- 454.15208 216.3
[M+Na-2H]- 476.13403 218.0
[M]+ 455.15881 212.0
[M]- 455.15991 212.0
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.