CID 749327

(1r,2r)-2-phenyl-n-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C1[C@H]([C@@H]1C(=O)NC2=NC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1
InChIKey
ZOOMNALRJFPRHO-WDEREUQCSA-N
Compound name
(1R,2R)-2-phenyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.06703 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 156.3
[M+Na]+ 267.05625 169.7
[M+NH4]+ 262.10085 165.8
[M+K]+ 283.03019 163.9
[M-H]- 243.05975 168.2
[M+Na-2H]- 265.04170 167.0
[M]+ 244.06648 163.1
[M]- 244.06758 163.1
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.