CID 21906618

N-(5-chloropyridin-2-yl)-5-methoxy-2-nitrobenzamide

Structural Information

Molecular Formula
C13H10ClN3O4
SMILES
COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H10ClN3O4/c1-21-9-3-4-11(17(19)20)10(6-9)13(18)16-12-5-2-8(14)7-15-12/h2-7H,1H3,(H,15,16,18)
InChIKey
CTIVJPFRQHXZGT-UHFFFAOYSA-N
Compound name
N-(5-chloropyridin-2-yl)-5-methoxy-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

307.03598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.04326 164.5
[M+Na]+ 330.02520 171.8
[M-H]- 306.02870 170.1
[M+NH4]+ 325.06980 177.4
[M+K]+ 345.99914 163.9
[M+H-H2O]+ 290.03324 161.2
[M+HCOO]- 352.03418 184.9
[M+CH3COO]- 366.04983 198.4
[M+Na-2H]- 328.01065 171.1
[M]+ 307.03543 166.5
[M]- 307.03653 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe