CID 3085554

71673-01-3

Structural Information

Molecular Formula
C15H23NO4S
SMILES
C[C@@H]1CC(N(C2=C1C=CC(=C2)C)CCOS(=O)(=O)O)(C)C
InChI
InChI=1S/C15H23NO4S/c1-11-5-6-13-12(2)10-15(3,4)16(14(13)9-11)7-8-20-21(17,18)19/h5-6,9,12H,7-8,10H2,1-4H3,(H,17,18,19)/t12-/m1/s1
InChIKey
WMSFOVDHJPRJHT-GFCCVEGCSA-N
Compound name
2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.13477 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14205 171.9
[M+Na]+ 336.12399 182.7
[M+NH4]+ 331.16859 179.8
[M+K]+ 352.09793 173.9
[M-H]- 312.12749 171.7
[M+Na-2H]- 334.10944 176.0
[M]+ 313.13422 174.0
[M]- 313.13532 174.0
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.