CID 42608445

(z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide

Structural Information

Molecular Formula
C13H19N5S
SMILES
CN1CCN(CC1)C2=CC=CC=C2CN=NC(=S)N
InChI
InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)
InChIKey
KAASZVAHBVMHCO-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)phenyl]methyliminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14338 163.5
[M+Na]+ 300.12532 168.5
[M-H]- 276.12882 168.9
[M+NH4]+ 295.16992 177.5
[M+K]+ 316.09926 164.4
[M+H-H2O]+ 260.13336 153.7
[M+HCOO]- 322.13430 180.8
[M+CH3COO]- 336.14995 208.5
[M+Na-2H]- 298.11077 165.3
[M]+ 277.13555 160.4
[M]- 277.13665 160.4
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

patents stripe