CID 10065295

133891-87-9

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CC1(CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)C
InChI
InChI=1S/C18H21NO3S/c1-18(22-23(2,20)21)13-19(14-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKey
HLYCKHOZSJZTKH-UHFFFAOYSA-N
Compound name
(1-benzhydryl-3-methylazetidin-3-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

331.1242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13148 169.3
[M+Na]+ 354.11342 177.5
[M+NH4]+ 349.15802 174.1
[M+K]+ 370.08736 169.9
[M-H]- 330.11692 170.4
[M+Na-2H]- 352.09887 177.1
[M]+ 331.12365 170.3
[M]- 331.12475 170.3
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

patents stripe