CID 390269

Nsc687561

Structural Information

Molecular Formula
C22H19N5O3S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)S
InChI
InChI=1S/C22H19N5O3S2/c1-14-4-10-17(11-5-14)32(29,30)25-27-21(28)18(12-23)20(19(13-24)22(27)31)15-6-8-16(9-7-15)26(2)3/h4-11,25,31H,1-3H3
InChIKey
QCJVYOJMWWGDQD-UHFFFAOYSA-N
Compound name
N-[3,5-dicyano-4-[4-(dimethylamino)phenyl]-2-oxo-6-sulfanylpyridin-1-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.09293 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.10021 226.2
[M+Na]+ 488.08215 236.1
[M-H]- 464.08565 232.3
[M+NH4]+ 483.12675 230.9
[M+K]+ 504.05609 230.8
[M+H-H2O]+ 448.09019 208.6
[M+HCOO]- 510.09113 230.0
[M+CH3COO]- 524.10678 251.6
[M+Na-2H]- 486.06760 222.2
[M]+ 465.09238 221.0
[M]- 465.09348 221.0
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.