CID 97182036

1447962-29-9

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1CCC2=NC(=C(C=C2C1)C(=O)C3=CC=CC=C3)N
InChI
InChI=1S/C16H16N2O/c17-16-13(15(19)11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)18-16/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18)
InChIKey
XIGLKCVCHGCPDO-UHFFFAOYSA-N
Compound name
(2-amino-5,6,7,8-tetrahydroquinolin-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 157.4
[M+Na]+ 275.115488 163.4
[M-H]- 251.118994 162.5
[M+NH4]+ 270.160093 173.1
[M+K]+ 291.089428 158.5
[M+H-H2O]+ 235.123530 148.6
[M+HCOO]- 297.124471 176.4
[M+CH3COO]- 311.140121 168.2
[M+Na-2H]- 273.100936 162.4
[M]+ 252.12572142 152.7
[M]- 252.12681858 152.7
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

No patent data available for this compound.