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

47
Patents

267.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 164.1
[M+Na]+ 290.151538 169.8
[M-H]- 266.155044 170.8
[M+NH4]+ 285.196143 174.0
[M+K]+ 306.125478 168.3
[M+H-H2O]+ 250.159580 151.0
[M+HCOO]- 312.160521 181.9
[M+CH3COO]- 326.176171 199.9
[M+Na-2H]- 288.136986 167.5
[M]+ 267.16177142 170.9
[M]- 267.16286858 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