CID 3613940

4-(sec-butyl)-2'-hydroxy-4'-nitrobenzenesulfonanilide

Structural Information

Molecular Formula
C16H18N2O5S
SMILES
CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C16H18N2O5S/c1-3-11(2)12-4-7-14(8-5-12)24(22,23)17-15-9-6-13(18(20)21)10-16(15)19/h4-11,17,19H,3H2,1-2H3
InChIKey
UWUQYSUSGIUBOC-UHFFFAOYSA-N
Compound name
4-butan-2-yl-N-(2-hydroxy-4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10091 176.1
[M+Na]+ 373.08285 180.9
[M-H]- 349.08635 181.4
[M+NH4]+ 368.12745 187.2
[M+K]+ 389.05679 172.5
[M+H-H2O]+ 333.09089 172.7
[M+HCOO]- 395.09183 193.2
[M+CH3COO]- 409.10748 204.4
[M+Na-2H]- 371.06830 180.6
[M]+ 350.09308 176.3
[M]- 350.09418 176.3
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

No patent data available for this compound.