CID 363089

Nsc627657

Structural Information

Molecular Formula
C27H32N2O4
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3N)OC)OCC4=CC=CC=C4)OC)OC
InChI
InChI=1S/C27H32N2O4/c1-29-11-10-19-13-24(30-2)25(31-3)15-21(19)23(29)12-20-14-27(26(32-4)16-22(20)28)33-17-18-8-6-5-7-9-18/h5-9,13-16,23H,10-12,17,28H2,1-4H3
InChIKey
VOIOWLDCVUICEO-UHFFFAOYSA-N
Compound name
2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-5-methoxy-4-phenylmethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2362 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.24348 214.2
[M+Na]+ 471.22542 220.1
[M-H]- 447.22892 222.4
[M+NH4]+ 466.27002 222.1
[M+K]+ 487.19936 215.1
[M+H-H2O]+ 431.23346 201.9
[M+HCOO]- 493.23440 231.4
[M+CH3COO]- 507.25005 238.8
[M+Na-2H]- 469.21087 213.2
[M]+ 448.23565 217.7
[M]- 448.23675 217.7
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.