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]+ 281.164836 167.6
[M+Na]+ 303.146778 176.6
[M-H]- 279.150284 172.6
[M+NH4]+ 298.191383 184.6
[M+K]+ 319.120718 170.3
[M+H-H2O]+ 263.154820 159.7
[M+HCOO]- 325.155761 185.4
[M+CH3COO]- 339.171411 178.6
[M+Na-2H]- 301.132226 171.1
[M]+ 280.15701142 164.0
[M]- 280.15810858 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.