CID 3050933

Brn 2284863

Structural Information

Molecular Formula
C17H17NO
SMILES
CNC(=O)C1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C17H17NO/c1-18-17(19)16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKey
CHNLUTBIFXRYNB-UHFFFAOYSA-N
Compound name
N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 155.8
[M+Na]+ 274.12023 167.6
[M+NH4]+ 269.16483 164.8
[M+K]+ 290.09417 160.9
[M-H]- 250.12373 159.9
[M+Na-2H]- 272.10568 162.6
[M]+ 251.13046 158.7
[M]- 251.13156 158.7
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

No patent data available for this compound.