CID 202157

Brn 1351164

Structural Information

Molecular Formula
C19H19NO
SMILES
CC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1
InChI
InChI=1S/C19H19NO/c1-13(21)20-11-16-7-4-6-15-10-9-14-5-2-3-8-17(14)18(12-20)19(15)16/h2-8,18H,9-12H2,1H3
InChIKey
ASMHUZPYLFZHEZ-UHFFFAOYSA-N
Compound name
1-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 162.2
[M+Na]+ 300.13589 175.0
[M+NH4]+ 295.18049 171.7
[M+K]+ 316.10983 167.8
[M-H]- 276.13939 165.6
[M+Na-2H]- 298.12134 167.3
[M]+ 277.14612 165.2
[M]- 277.14722 165.2
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.