CID 135521343

Nsc641603

Structural Information

Molecular Formula
C24H18ClN5O5
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=CC=C4Cl)O
InChI
InChI=1S/C24H18ClN5O5/c25-17-9-5-4-8-16(17)23(32)21(29-28-20(31)12-14-6-2-1-3-7-14)22-24(33)27-19-13-15(30(34)35)10-11-18(19)26-22/h1-11,13,23,32H,12H2,(H,27,33)(H,28,31)/b29-21+
InChIKey
BZPAJRJMTBCQFV-XHLNEMQHSA-N
Compound name
N-[(E)-[2-(2-chlorophenyl)-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

491.09964 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.10692 207.4
[M+Na]+ 514.08886 210.1
[M-H]- 490.09236 213.3
[M+NH4]+ 509.13346 209.8
[M+K]+ 530.06280 200.0
[M+H-H2O]+ 474.09690 200.4
[M+HCOO]- 536.09784 221.2
[M+CH3COO]- 550.11349 233.3
[M+Na-2H]- 512.07431 213.1
[M]+ 491.09909 206.4
[M]- 491.10019 206.4
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.