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]+ 259.180496 163.0
[M+Na]+ 281.162438 168.0
[M-H]- 257.165944 166.3
[M+NH4]+ 276.207043 177.8
[M+K]+ 297.136378 163.4
[M+H-H2O]+ 241.170480 153.3
[M+HCOO]- 303.171421 176.9
[M+CH3COO]- 317.187071 172.6
[M+Na-2H]- 279.147886 165.7
[M]+ 258.17267142 157.0
[M]- 258.17376858 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.