CID 613765

63806-80-4

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C
InChI
InChI=1S/C18H20N2O/c1-13(21)19-18-10-6-9-15-16(11-20(2)12-17(15)18)14-7-4-3-5-8-14/h3-10,16H,11-12H2,1-2H3,(H,19,21)
InChIKey
UJROOBBEEKKHHV-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

280.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 166.4
[M+Na]+ 303.146778 172.6
[M-H]- 279.150284 172.1
[M+NH4]+ 298.191383 181.6
[M+K]+ 319.120718 167.6
[M+H-H2O]+ 263.154820 157.5
[M+HCOO]- 325.155761 185.4
[M+CH3COO]- 339.171411 177.0
[M+Na-2H]- 301.132226 170.7
[M]+ 280.15701142 163.7
[M]- 280.15810858 163.7
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

patents stripe