CID 216588

Brn 0500795

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCCN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H28N2O4/c1-5-10-24-11-9-17-15(14-24)7-6-8-18(17)23-22(25)16-12-19(26-2)21(28-4)20(13-16)27-3/h6-8,12-13H,5,9-11,14H2,1-4H3,(H,23,25)
InChIKey
NHCCUUKOKFWVLH-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-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

384.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.0
[M+Na]+ 407.19412 199.5
[M-H]- 383.19762 199.6
[M+NH4]+ 402.23872 205.1
[M+K]+ 423.16806 196.0
[M+H-H2O]+ 367.20216 183.9
[M+HCOO]- 429.20310 211.9
[M+CH3COO]- 443.21875 225.6
[M+Na-2H]- 405.17957 194.9
[M]+ 384.20435 197.6
[M]- 384.20545 197.6
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