CID 3013148

Chembl188816

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1CC(C1)COC2=C(C(=O)NC3=CC=CC=C32)C#N
InChI
InChI=1S/C15H14N2O2/c16-8-12-14(19-9-10-4-3-5-10)11-6-1-2-7-13(11)17-15(12)18/h1-2,6-7,10H,3-5,9H2,(H,17,18)
InChIKey
AKSUXAZNKMRBJD-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethoxy)-2-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 152.4
[M+Na]+ 277.09475 161.4
[M-H]- 253.09825 155.8
[M+NH4]+ 272.13935 161.0
[M+K]+ 293.06869 159.2
[M+H-H2O]+ 237.10279 133.9
[M+HCOO]- 299.10373 167.6
[M+CH3COO]- 313.11938 206.7
[M+Na-2H]- 275.08020 157.2
[M]+ 254.10498 154.8
[M]- 254.10608 154.8
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.