CID 3025518

103829-02-3

Structural Information

Molecular Formula
C18H11Cl2N5O5
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11Cl2N5O5/c19-10-8-21-18(22-9-10)30-15-6-5-11(7-14(15)25(28)29)23-17(27)24-16(26)12-3-1-2-4-13(12)20/h1-9H,(H2,23,24,26,27)
InChIKey
BCDPQGXLUZMBHS-UHFFFAOYSA-N
Compound name
2-chloro-N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

447.01373 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.02101 195.1
[M+Na]+ 470.00295 200.4
[M-H]- 446.00645 201.5
[M+NH4]+ 465.04755 200.3
[M+K]+ 485.97689 191.4
[M+H-H2O]+ 430.01099 189.5
[M+HCOO]- 492.01193 208.7
[M+CH3COO]- 506.02758 223.1
[M+Na-2H]- 467.98840 200.6
[M]+ 447.01318 197.7
[M]- 447.01428 197.7
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