CID 3048891

64097-19-4

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1(C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3N)C
InChI
InChI=1S/C17H18N2O/c1-17(2)13-9-5-3-7-11(13)15(19-16(17)20)12-8-4-6-10-14(12)18/h3-10,15H,18H2,1-2H3,(H,19,20)
InChIKey
WLCXARDBSLUIBR-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 163.1
[M+Na]+ 289.13112 171.7
[M-H]- 265.13462 167.9
[M+NH4]+ 284.17572 180.4
[M+K]+ 305.10506 165.5
[M+H-H2O]+ 249.13916 155.2
[M+HCOO]- 311.14010 181.4
[M+CH3COO]- 325.15575 174.2
[M+Na-2H]- 287.11657 167.9
[M]+ 266.14135 158.8
[M]- 266.14245 158.8
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.