CID 84550

14607-25-1

Structural Information

Molecular Formula
C19H25ClN4O4S
SMILES
CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=CC=C(C=C2)S(=O)(=O)NCCCl
InChI
InChI=1S/C19H25ClN4O4S/c1-15-14-17(24(10-12-25)11-13-26)4-7-19(15)23-22-16-2-5-18(6-3-16)29(27,28)21-9-8-20/h2-7,14,21,25-26H,8-13H2,1H3
InChIKey
NTPQPUJVBMNPCW-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-N-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.1285 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13578 202.6
[M+Na]+ 463.11772 211.4
[M+NH4]+ 458.16232 207.5
[M+K]+ 479.09166 203.5
[M-H]- 439.12122 206.5
[M+Na-2H]- 461.10317 208.7
[M]+ 440.12795 205.3
[M]- 440.12905 205.3
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