CID 381909

4-azido-2-chloro-3-ethoxycarbonyl-quinoline

Structural Information

Molecular Formula
C12H9ClN4O2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]
InChI
InChI=1S/C12H9ClN4O2/c1-2-19-12(18)9-10(16-17-14)7-5-3-4-6-8(7)15-11(9)13/h3-6H,2H2,1H3
InChIKey
OTSLPRIBVVIXTM-UHFFFAOYSA-N
Compound name
ethyl 4-azido-2-chloroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04868 159.1
[M+Na]+ 299.03062 167.9
[M-H]- 275.03412 164.9
[M+NH4]+ 294.07522 175.9
[M+K]+ 315.00456 159.5
[M+H-H2O]+ 259.03866 156.1
[M+HCOO]- 321.03960 182.8
[M+CH3COO]- 335.05525 200.8
[M+Na-2H]- 297.01607 168.8
[M]+ 276.04085 161.8
[M]- 276.04195 161.8
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.