CID 363298

Nsc628118

Structural Information

Molecular Formula
C26H26N2O4
SMILES
COC1=C(C(=C2C=CN=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)N)OC)OC
InChI
InChI=1S/C26H26N2O4/c1-29-24-15-21-20(25(30-2)26(24)31-3)11-12-28-23(21)14-18-13-19(9-10-22(18)27)32-16-17-7-5-4-6-8-17/h4-13,15H,14,16,27H2,1-3H3
InChIKey
FGNZZSQEGAKWMZ-UHFFFAOYSA-N
Compound name
4-phenylmethoxy-2-[(5,6,7-trimethoxyisoquinolin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.18927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 207.9
[M+Na]+ 453.17849 215.4
[M-H]- 429.18199 216.8
[M+NH4]+ 448.22309 216.4
[M+K]+ 469.15243 210.2
[M+H-H2O]+ 413.18653 195.6
[M+HCOO]- 475.18747 228.3
[M+CH3COO]- 489.20312 233.9
[M+Na-2H]- 451.16394 210.1
[M]+ 430.18872 213.4
[M]- 430.18982 213.4
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.