CID 59150

N-658

Structural Information

Molecular Formula
C16H22N2O
SMILES
CN1CCN(CC1)CC2CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H22N2O/c1-17-8-10-18(11-9-17)12-14-7-6-13-4-2-3-5-15(13)16(14)19/h2-5,14H,6-12H2,1H3
InChIKey
FEVXXVXKDJHPSY-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.0
[M+Na]+ 281.16244 168.0
[M-H]- 257.16594 166.3
[M+NH4]+ 276.20704 177.8
[M+K]+ 297.13638 163.4
[M+H-H2O]+ 241.17048 153.3
[M+HCOO]- 303.17142 176.9
[M+CH3COO]- 317.18707 172.6
[M+Na-2H]- 279.14789 165.7
[M]+ 258.17267 157.0
[M]- 258.17377 157.0
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.