CID 390302

Nsc687594

Structural Information

Molecular Formula
C28H23N5O3S
SMILES
CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)N(C)C)C#N
InChI
InChI=1S/C28H23N5O3S/c1-19-9-11-21(12-10-19)27-24(17-29)26(20-13-15-22(16-14-20)32(2)3)25(18-30)28(34)33(27)31-37(35,36)23-7-5-4-6-8-23/h4-16,31H,1-3H3
InChIKey
XLMQXESQFXLUBW-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.15216 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.15944 237.5
[M+Na]+ 532.14138 247.0
[M-H]- 508.14488 243.6
[M+NH4]+ 527.18598 239.8
[M+K]+ 548.11532 239.1
[M+H-H2O]+ 492.14942 218.0
[M+HCOO]- 554.15036 244.0
[M+CH3COO]- 568.16601 257.9
[M+Na-2H]- 530.12683 233.1
[M]+ 509.15161 230.7
[M]- 509.15271 230.7
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.