CID 54651372

N-[[(2s,3s,4s)-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-n-propan-2-ylacetamide

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC(C)N(C[C@@H]1[C@@H]([C@H](N1)CO)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C22H28N2O2/c1-15(2)24(16(3)26)13-20-22(21(14-25)23-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15,20-23,25H,13-14H2,1-3H3/t20-,21-,22+/m1/s1
InChIKey
HKQKKWWMRZRAPL-VSKRKVRLSA-N
Compound name
N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-(4-phenylphenyl)azetidin-2-yl]methyl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 191.5
[M+Na]+ 375.204318 193.3
[M-H]- 351.207824 197.2
[M+NH4]+ 370.248923 195.2
[M+K]+ 391.178258 192.4
[M+H-H2O]+ 335.212360 175.9
[M+HCOO]- 397.213301 206.8
[M+CH3COO]- 411.228951 220.3
[M+Na-2H]- 373.189766 188.6
[M]+ 352.21455142 198.1
[M]- 352.21564858 198.1
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.