CID 883945

73415-60-8

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CNCCC1C(=O)N2CCC3=CC=CC=C3C2
InChI
InChI=1S/C15H20N2O/c18-15(13-5-8-16-9-6-13)17-10-7-12-3-1-2-4-14(12)11-17/h1-4,13,16H,5-11H2
InChIKey
BAUPZLTVOMQSAD-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isoquinolin-2-yl(piperidin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

244.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 158.3
[M+Na]+ 267.146778 161.1
[M-H]- 243.150284 159.7
[M+NH4]+ 262.191383 172.3
[M+K]+ 283.120718 156.4
[M+H-H2O]+ 227.154820 148.9
[M+HCOO]- 289.155761 170.0
[M+CH3COO]- 303.171411 166.8
[M+Na-2H]- 265.132226 161.4
[M]+ 244.15701142 148.7
[M]- 244.15810858 148.7
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