CID 24837507

93696-98-1

Structural Information

Molecular Formula
C19H19NO
SMILES
CNCCCC1=CC(=O)C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C19H19NO/c1-20-12-6-7-14-13-19(21)18-11-5-4-10-17(18)16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3
InChIKey
BDWMHNYZLNZXDO-UHFFFAOYSA-N
Compound name
10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.153946 163.4
[M+Na]+ 300.135888 171.4
[M-H]- 276.139394 170.5
[M+NH4]+ 295.180493 181.0
[M+K]+ 316.109828 170.2
[M+H-H2O]+ 260.143930 158.4
[M+HCOO]- 322.144871 186.5
[M+CH3COO]- 336.160521 175.5
[M+Na-2H]- 298.121336 171.3
[M]+ 277.14612142 163.9
[M]- 277.14721858 163.9
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.