CID 116632

Einecs 264-924-8

Structural Information

Molecular Formula
C19H21Cl2N5O2S
SMILES
CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2Cl)S(=O)(=O)N(C)C)Cl
InChI
InChI=1S/C19H21Cl2N5O2S/c1-4-26(11-5-10-22)15-8-6-14(7-9-15)23-24-18-12-17(21)19(13-16(18)20)29(27,28)25(2)3/h6-9,12-13H,4-5,11H2,1-3H3
InChIKey
CRNZYEPBJAYXLA-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

453.0793 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08658 216.7
[M+Na]+ 476.06852 226.0
[M-H]- 452.07202 226.3
[M+NH4]+ 471.11312 227.5
[M+K]+ 492.04246 221.0
[M+H-H2O]+ 436.07656 202.2
[M+HCOO]- 498.07750 227.9
[M+CH3COO]- 512.09315 251.5
[M+Na-2H]- 474.05397 216.3
[M]+ 453.07875 221.2
[M]- 453.07985 221.2
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.