CID 5072212

339340-75-9

Structural Information

Molecular Formula
C24H24N4O5S
SMILES
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)S(=O)(=O)N)N)C#N)OC
InChI
InChI=1S/C24H24N4O5S/c1-32-20-11-6-14(12-21(20)33-2)22-17(13-25)24(26)28(18-4-3-5-19(29)23(18)22)15-7-9-16(10-8-15)34(27,30)31/h6-12,22H,3-5,26H2,1-2H3,(H2,27,30,31)
InChIKey
MMLFQLRSOWMBKN-UHFFFAOYSA-N
Compound name
4-[2-amino-3-cyano-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.14673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15401 210.1
[M+Na]+ 503.13595 221.0
[M+NH4]+ 498.18055 211.7
[M+K]+ 519.10989 210.8
[M-H]- 479.13945 207.4
[M+Na-2H]- 501.12140 212.5
[M]+ 480.14618 210.3
[M]- 480.14728 210.3
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.