CID 361311

Benzamide, n-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-

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 196.5
[M+Na]+ 481.02700 198.2
[M-H]- 457.03050 203.1
[M+NH4]+ 476.07160 198.9
[M+K]+ 497.00094 186.8
[M+H-H2O]+ 441.03504 193.8
[M+HCOO]- 503.03598 214.9
[M+CH3COO]- 517.05163 220.2
[M+Na-2H]- 479.01245 205.2
[M]+ 458.03723 195.2
[M]- 458.03833 195.2
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