CID 3055306

1-(2-(6-methoxy-2-naphthalenyl)propyl)-4-methylpiperazine

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(CN1CCN(CC1)C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C19H26N2O/c1-15(14-21-10-8-20(2)9-11-21)16-4-5-18-13-19(22-3)7-6-17(18)12-16/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKey
MDOBMXMAJCUDHV-UHFFFAOYSA-N
Compound name
1-[2-(6-methoxynaphthalen-2-yl)propyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 174.8
[M+Na]+ 321.193718 179.8
[M-H]- 297.197224 178.3
[M+NH4]+ 316.238323 188.0
[M+K]+ 337.167658 175.2
[M+H-H2O]+ 281.201760 164.6
[M+HCOO]- 343.202701 189.2
[M+CH3COO]- 357.218351 207.2
[M+Na-2H]- 319.179166 176.7
[M]+ 298.20395142 172.7
[M]- 298.20504858 172.7
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

patents stripe