CID 3950151

339339-33-2

Structural Information

Molecular Formula
C26H28N4O4S
SMILES
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N)C#N
InChI
InChI=1S/C26H28N4O4S/c1-4-34-18-9-5-16(6-10-18)23-20(15-27)25(28)30(17-7-11-19(12-8-17)35(29,32)33)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,28H2,1-3H3,(H2,29,32,33)
InChIKey
QIASHYHZBOLTFY-UHFFFAOYSA-N
Compound name
4-[2-amino-3-cyano-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.18314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.19042 230.0
[M+Na]+ 515.17236 239.7
[M-H]- 491.17586 236.0
[M+NH4]+ 510.21696 237.1
[M+K]+ 531.14630 231.4
[M+H-H2O]+ 475.18040 214.6
[M+HCOO]- 537.18134 237.6
[M+CH3COO]- 551.19699 251.0
[M+Na-2H]- 513.15781 228.4
[M]+ 492.18259 225.5
[M]- 492.18369 225.5
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.