CID 6447604

Brn 4585529

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C/C3=CC=NC=C3)/C(=O)C4=C2C=CC(=C4)OC
InChI
InChI=1S/C23H20N2O4S/c1-16-3-6-20(7-4-16)30(27,28)25-15-18(13-17-9-11-24-12-10-17)23(26)21-14-19(29-2)5-8-22(21)25/h3-14H,15H2,1-2H3/b18-13-
InChIKey
VHXIEXSZULKECZ-AQTBWJFISA-N
Compound name
(3Z)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(pyridin-4-ylmethylidene)-2H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11438 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 201.1
[M+Na]+ 443.10360 209.7
[M-H]- 419.10710 208.9
[M+NH4]+ 438.14820 209.6
[M+K]+ 459.07754 202.8
[M+H-H2O]+ 403.11164 190.5
[M+HCOO]- 465.11258 212.7
[M+CH3COO]- 479.12823 223.5
[M+Na-2H]- 441.08905 203.4
[M]+ 420.11383 203.7
[M]- 420.11493 203.7
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.