CID 369544

Nsc641405

Structural Information

Molecular Formula
C20H14N2O5
SMILES
CCOC(=O)CC1=NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC1=O
InChI
InChI=1S/C20H14N2O5/c1-2-27-15(23)9-14-20(26)22-17-13(21-14)8-7-12-16(17)19(25)11-6-4-3-5-10(11)18(12)24/h3-8H,2,9H2,1H3,(H,22,26)
InChIKey
VZCPXFJTZLEMJO-UHFFFAOYSA-N
Compound name
ethyl 2-(2,7,12-trioxo-1H-naphtho[2,3-f]quinoxalin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09027 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09755 182.1
[M+Na]+ 385.07949 192.3
[M-H]- 361.08299 184.8
[M+NH4]+ 380.12409 194.2
[M+K]+ 401.05343 186.5
[M+H-H2O]+ 345.08753 172.4
[M+HCOO]- 407.08847 196.6
[M+CH3COO]- 421.10412 216.3
[M+Na-2H]- 383.06494 187.2
[M]+ 362.08972 185.4
[M]- 362.09082 185.4
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.