CID 384956

Nsc675780

Structural Information

Molecular Formula
C19H19N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C(=O)O
InChI
InChI=1S/C19H19N3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)10-20-18-16(19(23)24)21-12-6-4-5-7-13(12)22-18/h4-9H,10H2,1-3H3,(H,20,22)(H,23,24)
InChIKey
RNPCDEJLWMQENZ-UHFFFAOYSA-N
Compound name
3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.13248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13976 185.9
[M+Na]+ 392.12170 193.8
[M-H]- 368.12520 190.0
[M+NH4]+ 387.16630 195.3
[M+K]+ 408.09564 190.3
[M+H-H2O]+ 352.12974 175.4
[M+HCOO]- 414.13068 204.9
[M+CH3COO]- 428.14633 219.4
[M+Na-2H]- 390.10715 190.1
[M]+ 369.13193 191.5
[M]- 369.13303 191.5
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.