CID 479661

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

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CC[C@H](C1=CC=CC=C1)N(C)C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3
InChI
InChI=1S/C19H22N4O2S/c1-3-16(14-8-5-4-6-9-14)22(2)19(25)23-15(12-17(23)24)13-26-18-20-10-7-11-21-18/h4-11,15-16H,3,12-13H2,1-2H3/t15-,16-/m1/s1
InChIKey
OYJYSWZMRSGIML-HZPDHXFCSA-N
Compound name
(4R)-N-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.14636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 187.4
[M+Na]+ 393.13558 190.3
[M-H]- 369.13908 192.8
[M+NH4]+ 388.18018 189.2
[M+K]+ 409.10952 189.7
[M+H-H2O]+ 353.14362 169.7
[M+HCOO]- 415.14456 199.1
[M+CH3COO]- 429.16021 222.3
[M+Na-2H]- 391.12103 185.8
[M]+ 370.14581 198.2
[M]- 370.14691 198.2
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.