CID 54684573

1172850-18-8

Structural Information

Molecular Formula
C19H24N4O3
SMILES
C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C(=O)NCCN4CCNCC4)O
InChI
InChI=1S/C19H24N4O3/c24-17-14-5-1-3-13-4-2-9-23(16(13)14)19(26)15(17)18(25)21-8-12-22-10-6-20-7-11-22/h1,3,5,20,24H,2,4,6-12H2,(H,21,25)
InChIKey
XEDHFBIOENXGDT-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-(2-piperazin-1-ylethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

356.18484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 184.6
[M+Na]+ 379.17406 195.5
[M+NH4]+ 374.21866 190.5
[M+K]+ 395.14800 189.3
[M-H]- 355.17756 186.2
[M+Na-2H]- 377.15951 187.1
[M]+ 356.18429 186.2
[M]- 356.18539 186.2
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

patents stripe