CID 54676926

Timtec1_007922

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CNC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CCC3)O
InChI
InChI=1S/C14H14N2O3/c1-15-13(18)10-12(17)9-6-2-4-8-5-3-7-16(11(8)9)14(10)19/h2,4,6,17H,3,5,7H2,1H3,(H,15,18)
InChIKey
MEKHLDSDOLTVFE-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-2-oxo-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

8
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 155.5
[M+Na]+ 281.08965 163.8
[M-H]- 257.09315 157.8
[M+NH4]+ 276.13425 172.6
[M+K]+ 297.06359 159.8
[M+H-H2O]+ 241.09769 148.3
[M+HCOO]- 303.09863 173.2
[M+CH3COO]- 317.11428 198.4
[M+Na-2H]- 279.07510 162.0
[M]+ 258.09988 155.4
[M]- 258.10098 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.