CID 218064

40119-35-5

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1=CC2=C(C=C1)C(C(=O)NC2C3=CC=C(C=C3)N)(C)C
InChI
InChI=1S/C18H20N2O/c1-11-4-9-15-14(10-11)16(20-17(21)18(15,2)3)12-5-7-13(19)8-6-12/h4-10,16H,19H2,1-3H3,(H,20,21)
InChIKey
HZGATBMNGJMFPB-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-4,4,7-trimethyl-1,2-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 167.6
[M+Na]+ 303.14678 176.6
[M-H]- 279.15028 172.6
[M+NH4]+ 298.19138 184.6
[M+K]+ 319.12072 170.3
[M+H-H2O]+ 263.15482 159.7
[M+HCOO]- 325.15576 185.4
[M+CH3COO]- 339.17141 178.6
[M+Na-2H]- 301.13223 171.1
[M]+ 280.15701 164.0
[M]- 280.15811 164.0
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

No patent data available for this compound.