CID 366914

Nsc635976

Structural Information

Molecular Formula
C26H27NO2
SMILES
CN1CC(C2=C(C1)C=CC(=C2OC)OC)C=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H27NO2/c1-27-17-21-14-15-24(28-2)26(29-3)25(21)22(18-27)16-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,22H,17-18H2,1-3H3
InChIKey
BMBANZRNVKDGHZ-UHFFFAOYSA-N
Compound name
4-(2,2-diphenylethenyl)-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2042 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21148 197.5
[M+Na]+ 408.19342 202.6
[M-H]- 384.19692 205.5
[M+NH4]+ 403.23802 207.9
[M+K]+ 424.16736 196.1
[M+H-H2O]+ 368.20146 185.8
[M+HCOO]- 430.20240 213.7
[M+CH3COO]- 444.21805 205.8
[M+Na-2H]- 406.17887 198.2
[M]+ 385.20365 196.7
[M]- 385.20475 196.7
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.