CID 40331

52371-28-5

Structural Information

Molecular Formula
C18H19NO3S
SMILES
CN(C)C1CC(=C(C2=CC=CC=C12)C3=CC=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C18H19NO3S/c1-19(2)16-12-17(23(20,21)22)18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16/h3-11,16H,12H2,1-2H3,(H,20,21,22)
InChIKey
JJVUBVYJJVCKSL-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-phenyl-3,4-dihydronaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10855 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11583 173.3
[M+Na]+ 352.09777 186.7
[M+NH4]+ 347.14237 181.7
[M+K]+ 368.07171 178.1
[M-H]- 328.10127 178.0
[M+Na-2H]- 350.08322 181.4
[M]+ 329.10800 177.2
[M]- 329.10910 177.2
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.