CID 486912

3-amino-4-(m-tolylmethyl)-5,6,7,8-tetrahydro-1h-quinolin-2-one

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC3=C2CCCC3)N
InChI
InChI=1S/C17H20N2O/c1-11-5-4-6-12(9-11)10-14-13-7-2-3-8-15(13)19-17(20)16(14)18/h4-6,9H,2-3,7-8,10,18H2,1H3,(H,19,20)
InChIKey
NKHZNFCIVSNFEQ-UHFFFAOYSA-N
Compound name
3-amino-4-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.2
[M+Na]+ 291.14678 170.6
[M-H]- 267.15028 167.5
[M+NH4]+ 286.19138 178.3
[M+K]+ 307.12072 164.2
[M+H-H2O]+ 251.15482 154.9
[M+HCOO]- 313.15576 181.4
[M+CH3COO]- 327.17141 173.7
[M+Na-2H]- 289.13223 166.9
[M]+ 268.15701 158.5
[M]- 268.15811 158.5
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.