CID 16642530

1-benzoyl-1,2,3,4-tetrahydroquinolin-6-amine

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1CC2=C(C=CC(=C2)N)N(C1)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c17-14-8-9-15-13(11-14)7-4-10-18(15)16(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKey
OUQDZNUIDTTYFX-UHFFFAOYSA-N
Compound name
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

252.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 157.6
[M+Na]+ 275.115488 163.8
[M-H]- 251.118994 162.8
[M+NH4]+ 270.160093 173.4
[M+K]+ 291.089428 158.9
[M+H-H2O]+ 235.123530 149.0
[M+HCOO]- 297.124471 176.7
[M+CH3COO]- 311.140121 168.5
[M+Na-2H]- 273.100936 162.7
[M]+ 252.12572142 152.9
[M]- 252.12681858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe