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]+ 278.15395 163.4
[M+Na]+ 300.13589 171.4
[M-H]- 276.13939 170.5
[M+NH4]+ 295.18049 181.0
[M+K]+ 316.10983 170.2
[M+H-H2O]+ 260.14393 158.4
[M+HCOO]- 322.14487 186.5
[M+CH3COO]- 336.16052 175.5
[M+Na-2H]- 298.12134 171.3
[M]+ 277.14612 163.9
[M]- 277.14722 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.