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]+ 330.115826 173.7
[M+Na]+ 352.097768 181.0
[M-H]- 328.101274 181.2
[M+NH4]+ 347.142373 188.7
[M+K]+ 368.071708 176.7
[M+H-H2O]+ 312.105810 166.1
[M+HCOO]- 374.106751 189.3
[M+CH3COO]- 388.122401 210.1
[M+Na-2H]- 350.083216 177.9
[M]+ 329.10800142 176.1
[M]- 329.10909858 176.1
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.