CID 104703

54179-45-2

Structural Information

Molecular Formula
C17H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2C=CC=C3O
InChI
InChI=1S/C17H15NO3S/c1-12-8-10-13(11-9-12)22(20,21)18-16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11,18-19H,1H3
InChIKey
CJQANEIQSNYREL-UHFFFAOYSA-N
Compound name
N-(5-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

313.07727 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08455 168.8
[M+Na]+ 336.06649 177.6
[M-H]- 312.06999 175.5
[M+NH4]+ 331.11109 183.9
[M+K]+ 352.04043 171.8
[M+H-H2O]+ 296.07453 161.6
[M+HCOO]- 358.07547 185.7
[M+CH3COO]- 372.09112 203.6
[M+Na-2H]- 334.05194 175.0
[M]+ 313.07672 171.0
[M]- 313.07782 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe