CID 2758716

1-(diphenylmethyl)azetidin-3-yl methanesulfonate

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CS(=O)(=O)OC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey
MSVZMUILYMLJCF-UHFFFAOYSA-N
Compound name
(1-benzhydrylazetidin-3-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1009
Patents

317.10855 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11583 166.9
[M+Na]+ 340.09777 171.3
[M-H]- 316.10127 174.2
[M+NH4]+ 335.14237 173.3
[M+K]+ 356.07171 170.8
[M+H-H2O]+ 300.10581 152.3
[M+HCOO]- 362.10675 180.5
[M+CH3COO]- 376.12240 205.3
[M+Na-2H]- 338.08322 169.2
[M]+ 317.10800 177.2
[M]- 317.10910 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

literature stripe

Patent stripe

patents stripe