CID 216588

37481-31-5

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]+ 385.212176 194.0
[M+Na]+ 407.194118 199.5
[M-H]- 383.197624 199.6
[M+NH4]+ 402.238723 205.1
[M+K]+ 423.168058 196.0
[M+H-H2O]+ 367.202160 183.9
[M+HCOO]- 429.203101 211.9
[M+CH3COO]- 443.218751 225.6
[M+Na-2H]- 405.179566 194.9
[M]+ 384.20435142 197.6
[M]- 384.20544858 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