CID 46947512

1254830-70-0

Structural Information

Molecular Formula
C12H10ClNO4
SMILES
CCOC(=O)C1=CC2=C(C=C(N=C2Cl)C)OC1=O
InChI
InChI=1S/C12H10ClNO4/c1-3-17-11(15)8-5-7-9(18-12(8)16)4-6(2)14-10(7)13/h4-5H,3H2,1-2H3
InChIKey
GZPYMWLRKMNMBA-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.02985 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03713 152.1
[M+Na]+ 290.01907 164.4
[M-H]- 266.02257 157.1
[M+NH4]+ 285.06367 168.8
[M+K]+ 305.99301 161.7
[M+H-H2O]+ 250.02711 146.1
[M+HCOO]- 312.02805 169.0
[M+CH3COO]- 326.04370 195.9
[M+Na-2H]- 288.00452 158.5
[M]+ 267.02930 160.4
[M]- 267.03040 160.4
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