CID 389064

Nsc684703

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2C)Cl)OC
InChI
InChI=1S/C14H14ClNO3/c1-4-5-8-12(17)11-10(13(18)14(8)19-3)7(2)6-9(15)16-11/h6H,4-5H2,1-3H3
InChIKey
DIIFPMMVAZCIQO-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-4-methyl-7-propylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06622 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 158.3
[M+Na]+ 302.05544 170.6
[M-H]- 278.05894 162.4
[M+NH4]+ 297.10004 176.2
[M+K]+ 318.02938 165.8
[M+H-H2O]+ 262.06348 152.5
[M+HCOO]- 324.06442 174.7
[M+CH3COO]- 338.08007 202.2
[M+Na-2H]- 300.04089 161.6
[M]+ 279.06567 165.2
[M]- 279.06677 165.2
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.