CID 16227240

N-(4-carbamothioylphenyl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1CC1C(=O)NC2=CC=C(C=C2)C(=S)N
InChI
InChI=1S/C11H12N2OS/c12-10(15)7-3-5-9(6-4-7)13-11(14)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15)(H,13,14)
InChIKey
BRXRKGSGNXCBEW-UHFFFAOYSA-N
Compound name
N-(4-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]+ 221.074306 139.8
[M+Na]+ 243.056248 147.4
[M-H]- 219.059754 146.8
[M+NH4]+ 238.100853 153.0
[M+K]+ 259.030188 142.7
[M+H-H2O]+ 203.064290 133.0
[M+HCOO]- 265.065231 159.1
[M+CH3COO]- 279.080881 194.1
[M+Na-2H]- 241.041696 142.0
[M]+ 220.06648142 140.6
[M]- 220.06757858 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.