CID 3062999

99633-75-7

Structural Information

Molecular Formula
C22H27N3O
SMILES
CN1CC(C2=C(C1)C(=CC=C2)NC(=O)CN3CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O/c1-24-14-19(17-8-3-2-4-9-17)18-10-7-11-21(20(18)15-24)23-22(26)16-25-12-5-6-13-25/h2-4,7-11,19H,5-6,12-16H2,1H3,(H,23,26)
InChIKey
YDJJPPIMCFBACU-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 185.9
[M+Na]+ 372.20464 189.2
[M-H]- 348.20814 192.4
[M+NH4]+ 367.24924 197.9
[M+K]+ 388.17858 183.1
[M+H-H2O]+ 332.21268 175.0
[M+HCOO]- 394.21362 201.4
[M+CH3COO]- 408.22927 194.0
[M+Na-2H]- 370.19009 185.4
[M]+ 349.21487 180.3
[M]- 349.21597 180.3
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.