CID 3062997

99633-74-6

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCN(CC)CC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C
InChI
InChI=1S/C22H29N3O/c1-4-25(5-2)16-22(26)23-21-13-9-12-18-19(14-24(3)15-20(18)21)17-10-7-6-8-11-17/h6-13,19H,4-5,14-16H2,1-3H3,(H,23,26)
InChIKey
ICDKATZJRCNWAV-UHFFFAOYSA-N
Compound name
2-(diethylamino)-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

0
Patents

351.23105 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.0
[M+Na]+ 374.22027 191.4
[M-H]- 350.22377 194.1
[M+NH4]+ 369.26487 200.4
[M+K]+ 390.19421 187.1
[M+H-H2O]+ 334.22831 177.6
[M+HCOO]- 396.22925 207.0
[M+CH3COO]- 410.24490 225.0
[M+Na-2H]- 372.20572 189.8
[M]+ 351.23050 187.1
[M]- 351.23160 187.1
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.