CID 400206

Nsc711724

Structural Information

Molecular Formula
C19H17N3O2
SMILES
COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4)OC
InChI
InChI=1S/C19H17N3O2/c1-23-17-10-9-13(12-18(17)24-2)20-19-16-8-5-11-22(16)15-7-4-3-6-14(15)21-19/h3-12H,1-2H3,(H,20,21)
InChIKey
KSEPMMWCTARMLW-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

319.13208 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 173.3
[M+Na]+ 342.12130 183.8
[M-H]- 318.12480 180.3
[M+NH4]+ 337.16590 188.7
[M+K]+ 358.09524 178.2
[M+H-H2O]+ 302.12934 163.6
[M+HCOO]- 364.13028 196.3
[M+CH3COO]- 378.14593 185.3
[M+Na-2H]- 340.10675 180.6
[M]+ 319.13153 178.4
[M]- 319.13263 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.