CID 796314

(4-methylpiperazinyl)[(2-phenylethyl)amino]methane-1-thione

Structural Information

Molecular Formula
C14H21N3S
SMILES
CN1CCN(CC1)C(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H21N3S/c1-16-9-11-17(12-10-16)14(18)15-8-7-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,15,18)
InChIKey
BIXNRMAOFPWAJF-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-phenylethyl)piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14563 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15291 161.3
[M+Na]+ 286.13485 165.6
[M-H]- 262.13835 164.1
[M+NH4]+ 281.17945 175.3
[M+K]+ 302.10879 160.8
[M+H-H2O]+ 246.14289 152.5
[M+HCOO]- 308.14383 174.0
[M+CH3COO]- 322.15948 196.7
[M+Na-2H]- 284.12030 162.2
[M]+ 263.14508 157.6
[M]- 263.14618 157.6
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.