CID 3058235

74767-11-6

Structural Information

Molecular Formula
C24H17ClN2O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)Cl)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)O
InChI
InChI=1S/C24H17ClN2O3/c1-15-12-23(20-13-17(25)8-11-22(20)27-15)30-24(29)19-4-2-3-5-21(19)26-14-16-6-9-18(28)10-7-16/h2-14,28H,1H3
InChIKey
SPHYZVSAOQZARF-UHFFFAOYSA-N
Compound name
(6-chloro-2-methylquinolin-4-yl) 2-[(4-hydroxyphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.09277 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10005 199.4
[M+Na]+ 439.08199 208.5
[M-H]- 415.08549 208.7
[M+NH4]+ 434.12659 209.5
[M+K]+ 455.05593 201.1
[M+H-H2O]+ 399.09003 188.6
[M+HCOO]- 461.09097 216.0
[M+CH3COO]- 475.10662 209.0
[M+Na-2H]- 437.06744 202.8
[M]+ 416.09222 204.0
[M]- 416.09332 204.0
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.