CID 3025522

103829-07-8

Structural Information

Molecular Formula
C19H12ClN5O7
SMILES
C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H12ClN5O7/c20-11-5-8-17(21-10-11)32-16-7-6-12(9-15(16)25(30)31)22-19(27)23-18(26)13-3-1-2-4-14(13)24(28)29/h1-10H,(H2,22,23,26,27)
InChIKey
DHYRNHAUKAGMAA-UHFFFAOYSA-N
Compound name
N-[[4-(5-chloropyridin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

457.0425 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.04978 199.1
[M+Na]+ 480.03172 200.6
[M-H]- 456.03522 206.6
[M+NH4]+ 475.07632 202.8
[M+K]+ 496.00566 189.3
[M+H-H2O]+ 440.03976 197.1
[M+HCOO]- 502.04070 218.4
[M+CH3COO]- 516.05635 220.4
[M+Na-2H]- 478.01717 206.4
[M]+ 457.04195 198.0
[M]- 457.04305 198.0
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