CID 361311

Nsc624285

Structural Information

Molecular Formula
C18H11ClN6O7
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H11ClN6O7/c19-10-8-20-18(21-9-10)32-15-6-5-11(7-14(15)25(30)31)22-17(27)23-16(26)12-3-1-2-4-13(12)24(28)29/h1-9H,(H2,22,23,26,27)
InChIKey
HUXRBUKWTWHLEZ-UHFFFAOYSA-N
Compound name
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

458.03778 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.04506 197.1
[M+Na]+ 481.02700 210.4
[M+NH4]+ 476.07160 200.6
[M+K]+ 497.00094 210.7
[M-H]- 457.03050 203.3
[M+Na-2H]- 479.01245 204.5
[M]+ 458.03723 200.4
[M]- 458.03833 200.4
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

patents stripe