CID 24832291

91454-25-0

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC(C)NCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C
InChI
InChI=1S/C21H27N3O/c1-15(2)22-12-21(25)23-20-11-7-10-17-18(13-24(3)14-19(17)20)16-8-5-4-6-9-16/h4-11,15,18,22H,12-14H2,1-3H3,(H,23,25)
InChIKey
SIBDDQUAJLKKAZ-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-(propan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

337.21542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.3
[M+Na]+ 360.20464 196.1
[M+NH4]+ 355.24924 191.9
[M+K]+ 376.17858 188.2
[M-H]- 336.20814 189.6
[M+Na-2H]- 358.19009 190.7
[M]+ 337.21487 187.3
[M]- 337.21597 187.3
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

patents stripe