CID 4962778

N-(3-carbamothioylphenyl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1CC1C(=O)NC2=CC=CC(=C2)C(=S)N
InChI
InChI=1S/C11H12N2OS/c12-10(15)8-2-1-3-9(6-8)13-11(14)7-4-5-7/h1-3,6-7H,4-5H2,(H2,12,15)(H,13,14)
InChIKey
KIQYNSJQHTZBFX-UHFFFAOYSA-N
Compound name
N-(3-carbamothioylphenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 139.8
[M+Na]+ 243.05625 147.4
[M-H]- 219.05975 146.8
[M+NH4]+ 238.10085 153.0
[M+K]+ 259.03019 142.7
[M+H-H2O]+ 203.06429 133.0
[M+HCOO]- 265.06523 159.1
[M+CH3COO]- 279.08088 194.1
[M+Na-2H]- 241.04170 142.0
[M]+ 220.06648 140.6
[M]- 220.06758 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.