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]+ 299.21178 174.8
[M+Na]+ 321.19372 179.8
[M-H]- 297.19722 178.3
[M+NH4]+ 316.23832 188.0
[M+K]+ 337.16766 175.2
[M+H-H2O]+ 281.20176 164.6
[M+HCOO]- 343.20270 189.2
[M+CH3COO]- 357.21835 207.2
[M+Na-2H]- 319.17917 176.7
[M]+ 298.20395 172.7
[M]- 298.20505 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