CID 135521342

Nsc641602

Structural Information

Molecular Formula
C22H17N5O6
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C(\C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)/C(C4=CC=CO4)O
InChI
InChI=1S/C22H17N5O6/c28-18(11-13-5-2-1-3-6-13)25-26-19(21(29)17-7-4-10-33-17)20-22(30)24-16-12-14(27(31)32)8-9-15(16)23-20/h1-10,12,21,29H,11H2,(H,24,30)(H,25,28)/b26-19+
InChIKey
CHTOQGYSOSVQCR-LGUFXXKBSA-N
Compound name
N-[(E)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.1179 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.12518 197.1
[M+Na]+ 470.10712 200.0
[M-H]- 446.11062 205.2
[M+NH4]+ 465.15172 200.9
[M+K]+ 486.08106 192.8
[M+H-H2O]+ 430.11516 190.4
[M+HCOO]- 492.11610 217.6
[M+CH3COO]- 506.13175 224.9
[M+Na-2H]- 468.09257 204.0
[M]+ 447.11735 196.5
[M]- 447.11845 196.5
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.