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 184.4
[M+Na]+ 379.17406 188.0
[M-H]- 355.17756 183.8
[M+NH4]+ 374.21866 192.9
[M+K]+ 395.14800 181.8
[M+H-H2O]+ 339.18210 173.7
[M+HCOO]- 401.18304 193.0
[M+CH3COO]- 415.19869 190.4
[M+Na-2H]- 377.15951 187.5
[M]+ 356.18429 178.3
[M]- 356.18539 178.3
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

patents stripe