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]+ 324.17068 180.0
[M+Na]+ 346.15262 185.7
[M-H]- 322.15612 186.6
[M+NH4]+ 341.19722 186.5
[M+K]+ 362.12656 184.4
[M+H-H2O]+ 306.16066 164.7
[M+HCOO]- 368.16160 198.8
[M+CH3COO]- 382.17725 213.0
[M+Na-2H]- 344.13807 182.8
[M]+ 323.16285 188.7
[M]- 323.16395 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.