CID 363309

Nsc628128

Structural Information

Molecular Formula
C26H22N2O5
SMILES
COC1=C(C(=C2C=CN=C(C2=C1)C3=C4C=C(C=CC4=NO3)OCC5=CC=CC=C5)OC)OC
InChI
InChI=1S/C26H22N2O5/c1-29-22-14-19-18(25(30-2)26(22)31-3)11-12-27-23(19)24-20-13-17(9-10-21(20)28-33-24)32-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKey
WCFNMNCJOPURTJ-UHFFFAOYSA-N
Compound name
5-phenylmethoxy-3-(5,6,7-trimethoxyisoquinolin-1-yl)-2,1-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.15286 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16014 208.1
[M+Na]+ 465.14208 218.4
[M-H]- 441.14558 218.7
[M+NH4]+ 460.18668 216.6
[M+K]+ 481.11602 214.4
[M+H-H2O]+ 425.15012 196.1
[M+HCOO]- 487.15106 227.7
[M+CH3COO]- 501.16671 218.1
[M+Na-2H]- 463.12753 211.6
[M]+ 442.15231 218.3
[M]- 442.15341 218.3
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.