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 224.6
[M+Na]+ 503.13595 233.5
[M-H]- 479.13945 230.5
[M+NH4]+ 498.18055 230.0
[M+K]+ 519.10989 226.5
[M+H-H2O]+ 463.14399 208.8
[M+HCOO]- 525.14493 232.8
[M+CH3COO]- 539.16058 248.4
[M+Na-2H]- 501.12140 222.7
[M]+ 480.14618 220.1
[M]- 480.14728 220.1
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.