CID 384953

Nsc675777

Structural Information

Molecular Formula
C21H23N3O5
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H23N3O5/c1-5-29-21(25)18-20(24-15-9-7-6-8-14(15)23-18)22-12-13-10-16(26-2)19(28-4)17(11-13)27-3/h6-11H,5,12H2,1-4H3,(H,22,24)
InChIKey
YIKSYBYTFDTWOZ-UHFFFAOYSA-N
Compound name
ethyl 3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.16376 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17104 195.2
[M+Na]+ 420.15298 202.7
[M-H]- 396.15648 200.3
[M+NH4]+ 415.19758 204.2
[M+K]+ 436.12692 199.6
[M+H-H2O]+ 380.16102 184.0
[M+HCOO]- 442.16196 215.0
[M+CH3COO]- 456.17761 226.8
[M+Na-2H]- 418.13843 198.7
[M]+ 397.16321 203.1
[M]- 397.16431 203.1
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.