CID 54685660

Oprea1_171864

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3CCCCCC3)O
InChI
InChI=1S/C18H22N2O3/c1-20-14-11-7-6-10-13(14)16(21)15(18(20)23)17(22)19-12-8-4-2-3-5-9-12/h6-7,10-12,21H,2-5,8-9H2,1H3,(H,19,22)
InChIKey
QCCMAEDLQZEBEI-UHFFFAOYSA-N
Compound name
N-cycloheptyl-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 172.4
[M+Na]+ 337.15228 176.9
[M-H]- 313.15578 178.1
[M+NH4]+ 332.19688 184.8
[M+K]+ 353.12622 177.5
[M+H-H2O]+ 297.16032 164.9
[M+HCOO]- 359.16126 188.7
[M+CH3COO]- 373.17691 207.9
[M+Na-2H]- 335.13773 174.3
[M]+ 314.16251 166.3
[M]- 314.16361 166.3
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.