CID 482291

Chembl36010

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
C1C(N(C1=O)C(=O)NCCOCC2=CC=CC=C2)SCC3=CC=CC=N3
InChI
InChI=1S/C19H21N3O3S/c23-17-12-18(26-14-16-8-4-5-9-20-16)22(17)19(24)21-10-11-25-13-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,24)
InChIKey
RBBFEHDURWQNNN-UHFFFAOYSA-N
Compound name
2-oxo-N-(2-phenylmethoxyethyl)-4-(pyridin-2-ylmethylsulfanyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 183.2
[M+Na]+ 394.11959 186.1
[M-H]- 370.12309 188.5
[M+NH4]+ 389.16419 185.7
[M+K]+ 410.09353 184.4
[M+H-H2O]+ 354.12763 166.1
[M+HCOO]- 416.12857 197.1
[M+CH3COO]- 430.14422 217.7
[M+Na-2H]- 392.10504 183.6
[M]+ 371.12982 194.3
[M]- 371.13092 194.3
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.