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]+ 273.12338 161.8
[M+Na]+ 295.10532 171.5
[M-H]- 271.10882 164.1
[M+NH4]+ 290.14992 176.3
[M+K]+ 311.07926 167.6
[M+H-H2O]+ 255.11336 148.1
[M+HCOO]- 317.11430 177.1
[M+CH3COO]- 331.12995 210.5
[M+Na-2H]- 293.09077 164.4
[M]+ 272.11555 159.4
[M]- 272.11665 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.