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]+ 253.13355 157.4
[M+Na]+ 275.11549 163.4
[M-H]- 251.11899 162.5
[M+NH4]+ 270.16009 173.1
[M+K]+ 291.08943 158.5
[M+H-H2O]+ 235.12353 148.6
[M+HCOO]- 297.12447 176.4
[M+CH3COO]- 311.14012 168.2
[M+Na-2H]- 273.10094 162.4
[M]+ 252.12572 152.7
[M]- 252.12682 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.