CID 54686430

376378-13-1

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCCNC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CCC3)O
InChI
InChI=1S/C16H18N2O3/c1-2-8-17-15(20)12-14(19)11-7-3-5-10-6-4-9-18(13(10)11)16(12)21/h3,5,7,19H,2,4,6,8-9H2,1H3,(H,17,20)
InChIKey
FIIVHHIQKMMUBG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-propyl-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

6
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 164.7
[M+Na]+ 309.120958 172.1
[M-H]- 285.124464 166.6
[M+NH4]+ 304.165563 180.7
[M+K]+ 325.094898 167.7
[M+H-H2O]+ 269.129000 157.1
[M+HCOO]- 331.129941 181.7
[M+CH3COO]- 345.145591 204.3
[M+Na-2H]- 307.106406 170.1
[M]+ 286.13119142 165.3
[M]- 286.13228858 165.3
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.