CID 482389

Chembl2111601

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1([C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C19H21N3O2/c1-19(2)16(12-14-6-4-3-5-7-14)22(17(19)23)18(24)21-13-15-8-10-20-11-9-15/h3-11,16H,12-13H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKey
ZMRMZKSFYNLVTM-MRXNPFEDSA-N
Compound name
(2R)-2-benzyl-3,3-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.170676 180.0
[M+Na]+ 346.152618 185.7
[M-H]- 322.156124 186.6
[M+NH4]+ 341.197223 186.5
[M+K]+ 362.126558 184.4
[M+H-H2O]+ 306.160660 164.7
[M+HCOO]- 368.161601 198.8
[M+CH3COO]- 382.177251 213.0
[M+Na-2H]- 344.138066 182.8
[M]+ 323.16285142 188.7
[M]- 323.16394858 188.7
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

No patent data available for this compound.