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 206.0
[M+Na]+ 478.14858 208.7
[M-H]- 454.15208 216.2
[M+NH4]+ 473.19318 210.7
[M+K]+ 494.12252 198.6
[M+H-H2O]+ 438.15662 197.5
[M+HCOO]- 500.15756 229.4
[M+CH3COO]- 514.17321 229.8
[M+Na-2H]- 476.13403 210.4
[M]+ 455.15881 204.2
[M]- 455.15991 204.2
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.