CID 3008546

4-(propylamino)benzenecarbothioamide

Structural Information

Molecular Formula
C10H14N2S
SMILES
CCCNC1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C10H14N2S/c1-2-7-12-9-5-3-8(4-6-9)10(11)13/h3-6,12H,2,7H2,1H3,(H2,11,13)
InChIKey
DNSPXEDGHMWNSI-UHFFFAOYSA-N
Compound name
4-(propylamino)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.08777 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09505 141.8
[M+Na]+ 217.07699 148.1
[M-H]- 193.08049 144.9
[M+NH4]+ 212.12159 161.0
[M+K]+ 233.05093 144.1
[M+H-H2O]+ 177.08503 135.3
[M+HCOO]- 239.08597 161.0
[M+CH3COO]- 253.10162 188.3
[M+Na-2H]- 215.06244 144.0
[M]+ 194.08722 140.6
[M]- 194.08832 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

literature stripe

Patent stripe

No patent data available for this compound.