CID 135704112

78915-27-2

Structural Information

Molecular Formula
C24H24N2O2
SMILES
COC1=C(C=C2C(NC(=NCC3=CC=CC=C3)CC2=C1)C4=CC=CC=C4)OC
InChI
InChI=1S/C24H24N2O2/c1-27-21-13-19-14-23(25-16-17-9-5-3-6-10-17)26-24(18-11-7-4-8-12-18)20(19)15-22(21)28-2/h3-13,15,24H,14,16H2,1-2H3,(H,25,26)
InChIKey
LFEJALBCNVPTLK-UHFFFAOYSA-N
Compound name
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19106 191.4
[M+Na]+ 395.17300 196.9
[M-H]- 371.17650 199.6
[M+NH4]+ 390.21760 202.1
[M+K]+ 411.14694 190.3
[M+H-H2O]+ 355.18104 179.8
[M+HCOO]- 417.18198 210.4
[M+CH3COO]- 431.19763 200.2
[M+Na-2H]- 393.15845 195.1
[M]+ 372.18323 190.1
[M]- 372.18433 190.1
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.