CID 207100

1-piperazinecarbodithioic acid, 4-(1-naphthylmethyl)-, sodium salt, dihydrate

Structural Information

Molecular Formula
C16H18N2S2
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=S)S
InChI
InChI=1S/C16H18N2S2/c19-16(20)18-10-8-17(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H,19,20)
InChIKey
ZIZDBXMSXGDFQW-UHFFFAOYSA-N
Compound name
4-(naphthalen-1-ylmethyl)piperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.09116 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09844 163.1
[M+Na]+ 325.08038 176.7
[M+NH4]+ 320.12498 173.1
[M+K]+ 341.05432 164.6
[M-H]- 301.08388 168.0
[M+Na-2H]- 323.06583 170.2
[M]+ 302.09061 167.5
[M]- 302.09171 167.5
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.