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]+ 278.153946 163.9
[M+Na]+ 300.135888 170.1
[M-H]- 276.139394 168.8
[M+NH4]+ 295.180493 181.1
[M+K]+ 316.109828 168.1
[M+H-H2O]+ 260.143930 157.7
[M+HCOO]- 322.144871 178.2
[M+CH3COO]- 336.160521 174.2
[M+Na-2H]- 298.121336 169.7
[M]+ 277.14612142 159.8
[M]- 277.14721858 159.8
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.