CID 91666580

71735-52-9

Structural Information

Molecular Formula
C20H22N2O5S
SMILES
COCCCNS(=O)(=O)C1=CC(=C(C=C1)O)NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H22N2O5S/c1-27-12-4-11-21-28(25,26)15-8-10-18(23)17(13-15)22-20-16-6-3-2-5-14(16)7-9-19(20)24/h2-3,5-10,13,21-24H,4,11-12H2,1H3
InChIKey
NMJMEMLPGUQEPS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

402.12494 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.132216 189.8
[M+Na]+ 425.114158 195.7
[M-H]- 401.117664 194.3
[M+NH4]+ 420.158763 199.9
[M+K]+ 441.088098 190.2
[M+H-H2O]+ 385.122200 181.5
[M+HCOO]- 447.123141 205.3
[M+CH3COO]- 461.138791 221.4
[M+Na-2H]- 423.099606 195.0
[M]+ 402.12439142 193.6
[M]- 402.12548858 193.6
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.