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]+ 195.095046 141.8
[M+Na]+ 217.076988 148.1
[M-H]- 193.080494 144.9
[M+NH4]+ 212.121593 161.0
[M+K]+ 233.050928 144.1
[M+H-H2O]+ 177.085030 135.3
[M+HCOO]- 239.085971 161.0
[M+CH3COO]- 253.101621 188.3
[M+Na-2H]- 215.062436 144.0
[M]+ 194.08722142 140.6
[M]- 194.08831858 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.