CID 64581

Brn 5362259

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C23H26N2O4/c1-2-25-11-17(21(26)16-6-19-20(7-18(16)25)29-12-28-19)22(27)24-23-8-13-3-14(9-23)5-15(4-13)10-23/h6-7,11,13-15H,2-5,8-10,12H2,1H3,(H,24,27)
InChIKey
YQIANUMSPJJQOH-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18927 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 177.9
[M+Na]+ 417.178488 179.6
[M-H]- 393.181994 177.4
[M+NH4]+ 412.223093 194.4
[M+K]+ 433.152428 177.0
[M+H-H2O]+ 377.186530 167.2
[M+HCOO]- 439.187471 178.8
[M+CH3COO]- 453.203121 183.8
[M+Na-2H]- 415.163936 184.9
[M]+ 394.18872142 180.3
[M]- 394.18981858 180.3
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.