CID 216589

37481-32-6

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CCCN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H26N2O3/c1-4-11-23-12-10-17-16(14-23)6-5-7-18(17)22-21(24)15-8-9-19(25-2)20(13-15)26-3/h5-9,13H,4,10-12,14H2,1-3H3,(H,22,24)
InChIKey
DQTVKTMIXALQNO-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-(2-propyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 186.5
[M+Na]+ 377.18356 191.7
[M-H]- 353.18706 191.9
[M+NH4]+ 372.22816 198.6
[M+K]+ 393.15750 187.6
[M+H-H2O]+ 337.19160 176.5
[M+HCOO]- 399.19254 204.6
[M+CH3COO]- 413.20819 219.2
[M+Na-2H]- 375.16901 188.4
[M]+ 354.19379 187.9
[M]- 354.19489 187.9
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

patents stripe