CID 394878

Nsc698969

Structural Information

Molecular Formula
C24H18BrN3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C24H18BrN3O4/c1-30-19-10-13(11-20(31-2)22(19)32-3)24(29)28-18-9-8-14(25)12-15(18)21-23(28)27-17-7-5-4-6-16(17)26-21/h4-12H,1-3H3
InChIKey
OTMRFEOAUMEFSY-UHFFFAOYSA-N
Compound name
(9-bromoindolo[3,2-b]quinoxalin-6-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.04807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.05535 211.2
[M+Na]+ 514.03729 225.2
[M-H]- 490.04079 220.6
[M+NH4]+ 509.08189 223.2
[M+K]+ 530.01123 213.7
[M+H-H2O]+ 474.04533 207.2
[M+HCOO]- 536.04627 227.4
[M+CH3COO]- 550.06192 222.5
[M+Na-2H]- 512.02274 215.6
[M]+ 491.04752 238.5
[M]- 491.04862 238.5
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.