CID 85492

Einecs 240-625-8

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 207.6
[M+Na]+ 497.07876 213.4
[M-H]- 473.08226 214.9
[M+NH4]+ 492.12336 217.1
[M+K]+ 513.05270 207.6
[M+H-H2O]+ 457.08680 200.1
[M+HCOO]- 519.08774 219.7
[M+CH3COO]- 533.10339 241.9
[M+Na-2H]- 495.06421 209.6
[M]+ 474.08899 216.8
[M]- 474.09009 216.8
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