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 187.6
[M+Na]+ 372.20464 199.7
[M+NH4]+ 367.24924 195.7
[M+K]+ 388.17858 193.0
[M-H]- 348.20814 193.5
[M+Na-2H]- 370.19009 194.4
[M]+ 349.21487 190.8
[M]- 349.21597 190.8
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