CID 24689819

3-(4-benzylpiperazin-1-yl)propanimidamide dihydrochloride

Structural Information

Molecular Formula
C14H22N4
SMILES
C1CN(CCN1CCC(=N)N)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N4/c15-14(16)6-7-17-8-10-18(11-9-17)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H3,15,16)
InChIKey
TWJWHOUKYDISQR-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.18445 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19173 159.7
[M+Na]+ 269.17367 162.5
[M-H]- 245.17717 161.7
[M+NH4]+ 264.21827 172.8
[M+K]+ 285.14761 158.2
[M+H-H2O]+ 229.18171 150.0
[M+HCOO]- 291.18265 177.7
[M+CH3COO]- 305.19830 198.8
[M+Na-2H]- 267.15912 162.9
[M]+ 246.18390 152.2
[M]- 246.18500 152.2
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.