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]+ 247.191726 159.7
[M+Na]+ 269.173668 162.5
[M-H]- 245.177174 161.7
[M+NH4]+ 264.218273 172.8
[M+K]+ 285.147608 158.2
[M+H-H2O]+ 229.181710 150.0
[M+HCOO]- 291.182651 177.7
[M+CH3COO]- 305.198301 198.8
[M+Na-2H]- 267.159116 162.9
[M]+ 246.18390142 152.2
[M]- 246.18499858 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.