CID 495122

Nsc644296

Structural Information

Molecular Formula
C28H32N2O
SMILES
CC(COC)N=CN1CCC2=CC=CC=C2C1(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c1-23(21-31-2)29-22-30-18-17-26-15-9-10-16-27(26)28(30,19-24-11-5-3-6-12-24)20-25-13-7-4-8-14-25/h3-16,22-23H,17-21H2,1-2H3
InChIKey
SMCUCTRIHYCKIK-UHFFFAOYSA-N
Compound name
1-(1,1-dibenzyl-3,4-dihydroisoquinolin-2-yl)-N-(1-methoxypropan-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.25146 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 206.3
[M+Na]+ 435.24068 209.5
[M-H]- 411.24418 214.6
[M+NH4]+ 430.28528 217.4
[M+K]+ 451.21462 202.8
[M+H-H2O]+ 395.24872 193.4
[M+HCOO]- 457.24966 224.2
[M+CH3COO]- 471.26531 213.7
[M+Na-2H]- 433.22613 209.2
[M]+ 412.25091 205.3
[M]- 412.25201 205.3
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.