CID 479675

(4r)-n-benzyl-n-methyl-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CN(CC1=CC=CC=C1)C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3
InChI
InChI=1S/C17H18N4O2S/c1-20(11-13-6-3-2-4-7-13)17(23)21-14(10-15(21)22)12-24-16-18-8-5-9-19-16/h2-9,14H,10-12H2,1H3/t14-/m1/s1
InChIKey
QUIXMZKECWOCJC-CQSZACIVSA-N
Compound name
(4R)-N-benzyl-N-methyl-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.11505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 177.4
[M+Na]+ 365.10427 181.7
[M-H]- 341.10777 183.2
[M+NH4]+ 360.14887 180.5
[M+K]+ 381.07821 180.9
[M+H-H2O]+ 325.11231 160.1
[M+HCOO]- 387.11325 190.9
[M+CH3COO]- 401.12890 215.8
[M+Na-2H]- 363.08972 177.9
[M]+ 342.11450 188.2
[M]- 342.11560 188.2
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.