CID 110090

68385-96-6

Structural Information

Molecular Formula
C20H22N6O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)C)C#N)NS(=O)(=O)C
InChI
InChI=1S/C20H22N6O2S/c1-5-26(6-2)17-7-8-18(19(11-17)25-29(4,27)28)23-24-20-15(12-21)9-14(3)10-16(20)13-22/h7-11,25H,5-6H2,1-4H3
InChIKey
NSLHLMXJNOITEZ-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-methylphenyl)diazenyl]-5-(diethylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

410.1525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15978 206.7
[M+Na]+ 433.14172 213.6
[M+NH4]+ 428.18632 205.8
[M+K]+ 449.11566 202.0
[M-H]- 409.14522 199.0
[M+Na-2H]- 431.12717 206.0
[M]+ 410.15195 204.5
[M]- 410.15305 204.5
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

patents stripe