CID 3069719

1-piperazinecarboxamidine, 4-(2-(1-naphthyloxy)ethyl)-

Structural Information

Molecular Formula
C17H22N4O
SMILES
C1CN(CCN1CCOC2=CC=CC3=CC=CC=C32)C(=N)N
InChI
InChI=1S/C17H22N4O/c18-17(19)21-10-8-20(9-11-21)12-13-22-16-7-3-5-14-4-1-2-6-15(14)16/h1-7H,8-13H2,(H3,18,19)
InChIKey
KPOUTRMFXYHGGW-UHFFFAOYSA-N
Compound name
4-(2-naphthalen-1-yloxyethyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 170.2
[M+Na]+ 321.168568 173.9
[M-H]- 297.172074 173.2
[M+NH4]+ 316.213173 182.2
[M+K]+ 337.142508 168.9
[M+H-H2O]+ 281.176610 160.0
[M+HCOO]- 343.177551 187.2
[M+CH3COO]- 357.193201 178.8
[M+Na-2H]- 319.154016 174.5
[M]+ 298.17880142 164.3
[M]- 298.17989858 164.3
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.