CID 112835

62335-85-7

Structural Information

Molecular Formula
C20H25ClN4O4S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)CCO)Cl)NC(=O)C
InChI
InChI=1S/C20H25ClN4O4S/c1-4-25(5-2)15-6-8-19(20(12-15)22-14(3)27)24-23-18-9-7-16(13-17(18)21)30(28,29)11-10-26/h6-9,12-13,26H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKey
XPWGSPNJAXRAGP-UHFFFAOYSA-N
Compound name
N-[2-[[2-chloro-4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1285 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13578 206.7
[M+Na]+ 475.11772 212.2
[M-H]- 451.12122 215.8
[M+NH4]+ 470.16232 217.0
[M+K]+ 491.09166 207.9
[M+H-H2O]+ 435.12576 197.8
[M+HCOO]- 497.12670 223.9
[M+CH3COO]- 511.14235 243.0
[M+Na-2H]- 473.10317 208.0
[M]+ 452.12795 215.4
[M]- 452.12905 215.4
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

No patent data available for this compound.