CID 20269128

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

2
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

literature stripe

Patent stripe

patents stripe