CID 466904

Isopropyl 2-cyano-6-methoxy-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC(C)OC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N
InChI
InChI=1S/C15H16N2O3/c1-10(2)20-15(18)17-12(9-16)5-4-11-8-13(19-3)6-7-14(11)17/h4-8,10,12H,1-3H3
InChIKey
CUBZBCCKINCOOH-UHFFFAOYSA-N
Compound name
propan-2-yl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.8
[M+Na]+ 295.105318 171.5
[M-H]- 271.108824 164.1
[M+NH4]+ 290.149923 176.3
[M+K]+ 311.079258 167.6
[M+H-H2O]+ 255.113360 148.1
[M+HCOO]- 317.114301 177.1
[M+CH3COO]- 331.129951 210.5
[M+Na-2H]- 293.090766 164.4
[M]+ 272.11555142 159.4
[M]- 272.11664858 159.4
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

No patent data available for this compound.