CID 369473

Nsc641243

Structural Information

Molecular Formula
C20H14N2O5
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)N
InChI
InChI=1S/C20H14N2O5/c21-20(27)18(25)10-16(23)13-7-3-4-8-14(13)22-15-9-17(24)19(26)12-6-2-1-5-11(12)15/h1-9,22H,10H2,(H2,21,27)
InChIKey
GJVCIRAEJLQKJX-UHFFFAOYSA-N
Compound name
4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09027 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09755 180.6
[M+Na]+ 385.07949 186.4
[M-H]- 361.08299 187.5
[M+NH4]+ 380.12409 192.3
[M+K]+ 401.05343 182.8
[M+H-H2O]+ 345.08753 171.7
[M+HCOO]- 407.08847 201.3
[M+CH3COO]- 421.10412 222.4
[M+Na-2H]- 383.06494 181.6
[M]+ 362.08972 180.0
[M]- 362.09082 180.0
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.