CID 3038890

Brn 0454368

Structural Information

Molecular Formula
C25H26N2O3
SMILES
COC1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H26N2O3/c1-29-21-10-6-18(7-11-21)16-27-15-14-23-20(17-27)4-3-5-24(23)26-25(28)19-8-12-22(30-2)13-9-19/h3-13H,14-17H2,1-2H3,(H,26,28)
InChIKey
LFGCFODNLATUSY-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.201616 198.7
[M+Na]+ 425.183558 203.1
[M-H]- 401.187064 206.8
[M+NH4]+ 420.228163 207.9
[M+K]+ 441.157498 197.8
[M+H-H2O]+ 385.191600 186.8
[M+HCOO]- 447.192541 216.5
[M+CH3COO]- 461.208191 206.8
[M+Na-2H]- 423.169006 200.9
[M]+ 402.19379142 198.5
[M]- 402.19488858 198.5
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

No patent data available for this compound.