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 147.9
[M+Na]+ 267.05625 157.3
[M-H]- 243.05975 157.3
[M+NH4]+ 262.10085 161.2
[M+K]+ 283.03019 152.5
[M+H-H2O]+ 227.06429 140.6
[M+HCOO]- 289.06523 168.4
[M+CH3COO]- 303.08088 160.5
[M+Na-2H]- 265.04170 150.5
[M]+ 244.06648 151.1
[M]- 244.06758 151.1
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.