CID 85492

16558-32-0

Structural Information

Molecular Formula
C19H24Cl2N4O4S
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)S(=O)(=O)NCCCl)Cl
InChI
InChI=1S/C19H24Cl2N4O4S/c1-14-12-15(25(8-10-26)9-11-27)2-4-18(14)23-24-19-5-3-16(13-17(19)21)30(28,29)22-7-6-20/h2-5,12-13,22,26-27H,6-11H2,1H3
InChIKey
IQJLIBJIBFXYCA-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-chloro-N-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

474.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09682 210.3
[M+Na]+ 497.07876 219.9
[M+NH4]+ 492.12336 215.2
[M+K]+ 513.05270 211.3
[M-H]- 473.08226 213.9
[M+Na-2H]- 495.06421 215.7
[M]+ 474.08899 213.4
[M]- 474.09009 213.4
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