CID 365298

Nsc632849

Structural Information

Molecular Formula
C19H20N6O2S
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C19H20N6O2S/c1-15-14-17(25(12-2-10-20)13-3-11-21)6-9-19(15)24-23-16-4-7-18(8-5-16)28(22,26)27/h4-9,14H,2-3,12-13H2,1H3,(H2,22,26,27)
InChIKey
FTAOJLOEGLMPDI-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13684 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14412 209.6
[M+Na]+ 419.12606 217.0
[M-H]- 395.12956 215.7
[M+NH4]+ 414.17066 216.8
[M+K]+ 435.10000 213.7
[M+H-H2O]+ 379.13410 191.4
[M+HCOO]- 441.13504 220.4
[M+CH3COO]- 455.15069 248.9
[M+Na-2H]- 417.11151 207.8
[M]+ 396.13629 203.5
[M]- 396.13739 203.5
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.