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]+ 287.13902 164.7
[M+Na]+ 309.12096 172.1
[M-H]- 285.12446 166.6
[M+NH4]+ 304.16556 180.7
[M+K]+ 325.09490 167.7
[M+H-H2O]+ 269.12900 157.1
[M+HCOO]- 331.12994 181.7
[M+CH3COO]- 345.14559 204.3
[M+Na-2H]- 307.10641 170.1
[M]+ 286.13119 165.3
[M]- 286.13229 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.