CID 136499985

765295-51-0

Structural Information

Molecular Formula
C25H21N3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC4=CC=CC=C4NC3=O
InChI
InChI=1S/C25H21N3O3/c1-17-6-8-18(9-7-17)16-31-22-12-10-19(11-13-22)25(30)28-26-15-21-14-20-4-2-3-5-23(20)27-24(21)29/h2-15H,16H2,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
OINFZLDNBYEGTQ-CVKSISIWSA-N
Compound name
4-[(4-methylphenyl)methoxy]-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1583 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 198.8
[M+Na]+ 434.14752 205.0
[M-H]- 410.15102 207.7
[M+NH4]+ 429.19212 207.4
[M+K]+ 450.12146 198.3
[M+H-H2O]+ 394.15556 186.9
[M+HCOO]- 456.15650 220.8
[M+CH3COO]- 470.17215 207.5
[M+Na-2H]- 432.13297 203.8
[M]+ 411.15775 199.4
[M]- 411.15885 199.4
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.