CID 20269128

Acetamide, 2-(ethylamino)-n-(1,2,3,4-tetrahydro-2-methyl-4-p-tolyl-8-isoquinolinyl)-, maleate

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCNCC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)C)C
InChI
InChI=1S/C21H27N3O/c1-4-22-12-21(25)23-20-7-5-6-17-18(13-24(3)14-19(17)20)16-10-8-15(2)9-11-16/h5-11,18,22H,4,12-14H2,1-3H3,(H,23,25)
InChIKey
AJCUZGIUFGFSOO-UHFFFAOYSA-N
Compound name
2-(ethylamino)-N-[2-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]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 183.7
[M+Na]+ 360.20464 188.4
[M-H]- 336.20814 189.0
[M+NH4]+ 355.24924 196.4
[M+K]+ 376.17858 183.0
[M+H-H2O]+ 320.21268 174.0
[M+HCOO]- 382.21362 202.6
[M+CH3COO]- 396.22927 220.1
[M+Na-2H]- 358.19009 186.1
[M]+ 337.21487 181.7
[M]- 337.21597 181.7
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

No patent data available for this compound.