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 183.2
[M+Na]+ 360.20464 186.7
[M-H]- 336.20814 188.2
[M+NH4]+ 355.24924 195.5
[M+K]+ 376.17858 181.8
[M+H-H2O]+ 320.21268 173.5
[M+HCOO]- 382.21362 201.1
[M+CH3COO]- 396.22927 219.7
[M+Na-2H]- 358.19009 185.3
[M]+ 337.21487 180.2
[M]- 337.21597 180.2
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

No patent data available for this compound.