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

2
Patents

354.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.201616 186.5
[M+Na]+ 377.183558 191.7
[M-H]- 353.187064 191.9
[M+NH4]+ 372.228163 198.6
[M+K]+ 393.157498 187.6
[M+H-H2O]+ 337.191600 176.5
[M+HCOO]- 399.192541 204.6
[M+CH3COO]- 413.208191 219.2
[M+Na-2H]- 375.169006 188.4
[M]+ 354.19379142 187.9
[M]- 354.19488858 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