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 177.9
[M+Na]+ 417.17849 179.6
[M-H]- 393.18199 177.4
[M+NH4]+ 412.22309 194.4
[M+K]+ 433.15243 177.0
[M+H-H2O]+ 377.18653 167.2
[M+HCOO]- 439.18747 178.8
[M+CH3COO]- 453.20312 183.8
[M+Na-2H]- 415.16394 184.9
[M]+ 394.18872 180.3
[M]- 394.18982 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.