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]+ 299.18663 170.2
[M+Na]+ 321.16857 173.9
[M-H]- 297.17207 173.2
[M+NH4]+ 316.21317 182.2
[M+K]+ 337.14251 168.9
[M+H-H2O]+ 281.17661 160.0
[M+HCOO]- 343.17755 187.2
[M+CH3COO]- 357.19320 178.8
[M+Na-2H]- 319.15402 174.5
[M]+ 298.17880 164.3
[M]- 298.17990 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.