CID 84550

Einecs 238-644-1

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 201.1
[M+Na]+ 463.11772 205.7
[M-H]- 439.12122 208.5
[M+NH4]+ 458.16232 211.0
[M+K]+ 479.09166 200.7
[M+H-H2O]+ 423.12576 192.2
[M+HCOO]- 485.12670 218.1
[M+CH3COO]- 499.14235 237.2
[M+Na-2H]- 461.10317 204.4
[M]+ 440.12795 208.5
[M]- 440.12905 208.5
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

patents stripe