CID 5277699

Ethyl n-(6-amino-4-chloro-5-nitro-2-pyridyl)-n-phenyl-carbamate

Structural Information

Molecular Formula
C14H13ClN4O4
SMILES
CCOC(=O)N(C1=CC=CC=C1)C2=NC(=C(C(=C2)Cl)[N+](=O)[O-])N
InChI
InChI=1S/C14H13ClN4O4/c1-2-23-14(20)18(9-6-4-3-5-7-9)11-8-10(15)12(19(21)22)13(16)17-11/h3-8H,2H2,1H3,(H2,16,17)
InChIKey
OMQXLUQJGPEHDH-UHFFFAOYSA-N
Compound name
ethyl N-(6-amino-4-chloro-5-nitropyridin-2-yl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06253 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06981 173.0
[M+Na]+ 359.05175 179.1
[M-H]- 335.05525 179.4
[M+NH4]+ 354.09635 184.8
[M+K]+ 375.02569 172.1
[M+H-H2O]+ 319.05979 169.1
[M+HCOO]- 381.06073 193.9
[M+CH3COO]- 395.07638 208.3
[M+Na-2H]- 357.03720 177.9
[M]+ 336.06198 174.8
[M]- 336.06308 174.8
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

No patent data available for this compound.