CID 479671

(4r)-2-oxo-n-[(1r)-1-phenylpropyl]-4-(thiazolo[4,5-b]pyridin-2-ylsulfanylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C20H20N4O2S2
SMILES
CC[C@H](C1=CC=CC=C1)NC(=O)N2[C@H](CC2=O)CSC3=NC4=C(S3)C=CC=N4
InChI
InChI=1S/C20H20N4O2S2/c1-2-15(13-7-4-3-5-8-13)22-19(26)24-14(11-17(24)25)12-27-20-23-18-16(28-20)9-6-10-21-18/h3-10,14-15H,2,11-12H2,1H3,(H,22,26)/t14-,15-/m1/s1
InChIKey
RWEJEHXAUACDGH-HUUCEWRRSA-N
Compound name
(4R)-2-oxo-N-[(1R)-1-phenylpropyl]-4-([1,3]thiazolo[4,5-b]pyridin-2-ylsulfanylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.10278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.11006 189.3
[M+Na]+ 435.09200 194.5
[M-H]- 411.09550 194.7
[M+NH4]+ 430.13660 192.4
[M+K]+ 451.06594 191.3
[M+H-H2O]+ 395.10004 173.9
[M+HCOO]- 457.10098 197.2
[M+CH3COO]- 471.11663 196.7
[M+Na-2H]- 433.07745 187.7
[M]+ 412.10223 201.7
[M]- 412.10333 201.7
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.