CID 6447482

Brn 4579434

Structural Information

Molecular Formula
C24H21NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=CC=C3)/C(=O)C4=C2C=CC(=C4)OC
InChI
InChI=1S/C24H21NO4S/c1-17-8-11-21(12-9-17)30(27,28)25-16-19(14-18-6-4-3-5-7-18)24(26)22-15-20(29-2)10-13-23(22)25/h3-15H,16H2,1-2H3/b19-14+
InChIKey
YOECUJINAZKMNE-XMHGGMMESA-N
Compound name
(3E)-3-benzylidene-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.11914 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.12642 200.5
[M+Na]+ 442.10836 208.7
[M-H]- 418.11186 209.5
[M+NH4]+ 437.15296 210.4
[M+K]+ 458.08230 201.9
[M+H-H2O]+ 402.11640 190.4
[M+HCOO]- 464.11734 213.1
[M+CH3COO]- 478.13299 223.7
[M+Na-2H]- 440.09381 202.3
[M]+ 419.11859 203.0
[M]- 419.11969 203.0
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.