CID 479676

(4r)-n-[(4-fluorophenyl)methyl]-n-methyl-2-oxo-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C17H17FN4O2S
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3
InChI
InChI=1S/C17H17FN4O2S/c1-21(10-12-3-5-13(18)6-4-12)17(24)22-14(9-15(22)23)11-25-16-19-7-2-8-20-16/h2-8,14H,9-11H2,1H3/t14-/m1/s1
InChIKey
CZAQWYBEVALGJY-CQSZACIVSA-N
Compound name
(4R)-N-[(4-fluorophenyl)methyl]-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

360.10562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11290 181.4
[M+Na]+ 383.09484 186.5
[M-H]- 359.09834 186.1
[M+NH4]+ 378.13944 183.9
[M+K]+ 399.06878 185.1
[M+H-H2O]+ 343.10288 163.3
[M+HCOO]- 405.10382 193.7
[M+CH3COO]- 419.11947 219.5
[M+Na-2H]- 381.08029 180.4
[M]+ 360.10507 191.5
[M]- 360.10617 191.5
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.