CID 10378300

1-(diphenylmethyl)-2,2-dimethylazetidin-3-ol

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1(C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H21NO/c1-18(2)16(20)13-19(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3
InChIKey
YRDDKKNUZORKDG-UHFFFAOYSA-N
Compound name
1-benzhydryl-2,2-dimethylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

267.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.1
[M+Na]+ 290.15154 169.8
[M-H]- 266.15504 170.8
[M+NH4]+ 285.19614 174.0
[M+K]+ 306.12548 168.3
[M+H-H2O]+ 250.15958 151.0
[M+HCOO]- 312.16052 181.9
[M+CH3COO]- 326.17617 199.9
[M+Na-2H]- 288.13699 167.5
[M]+ 267.16177 170.9
[M]- 267.16287 170.9
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