CID 372916

Nsc648628

Structural Information

Molecular Formula
C18H12N6O7
SMILES
C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H12N6O7/c19-17(26)10-3-1-2-4-11(10)22-18(27)16(25)15(24(30)31)14-8-20-12-6-5-9(23(28)29)7-13(12)21-14/h1-8,15H,(H2,19,26)(H,22,27)
InChIKey
PABIZHZGHAGZJJ-UHFFFAOYSA-N
Compound name
2-[[3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.07675 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08403 185.0
[M+Na]+ 447.06597 185.7
[M-H]- 423.06947 189.1
[M+NH4]+ 442.11057 188.4
[M+K]+ 463.03991 175.6
[M+H-H2O]+ 407.07401 182.9
[M+HCOO]- 469.07495 204.2
[M+CH3COO]- 483.09060 218.3
[M+Na-2H]- 445.05142 193.4
[M]+ 424.07620 179.8
[M]- 424.07730 179.8
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.