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]+ 373.191056 191.4
[M+Na]+ 395.172998 196.9
[M-H]- 371.176504 199.6
[M+NH4]+ 390.217603 202.1
[M+K]+ 411.146938 190.3
[M+H-H2O]+ 355.181040 179.8
[M+HCOO]- 417.181981 210.4
[M+CH3COO]- 431.197631 200.2
[M+Na-2H]- 393.158446 195.1
[M]+ 372.18323142 190.1
[M]- 372.18432858 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.