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]+ 395.19655 191.2
[M+Na]+ 417.17849 201.6
[M+NH4]+ 412.22309 202.4
[M+K]+ 433.15243 194.2
[M-H]- 393.18199 193.6
[M+Na-2H]- 415.16394 185.9
[M]+ 394.18872 193.5
[M]- 394.18982 193.5
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.