CID 24837504

93696-94-7

Structural Information

Molecular Formula
C20H21NO
SMILES
CN(C)CCCC1=CC(=O)C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C20H21NO/c1-21(2)13-7-8-15-14-20(22)19-12-6-5-11-18(19)17-10-4-3-9-16(15)17/h3-6,9-12,14H,7-8,13H2,1-2H3
InChIKey
FSMAGEXAPNJELA-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)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

291.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 167.5
[M+Na]+ 314.15154 175.2
[M-H]- 290.15504 175.8
[M+NH4]+ 309.19614 185.1
[M+K]+ 330.12548 175.1
[M+H-H2O]+ 274.15958 162.1
[M+HCOO]- 336.16052 190.7
[M+CH3COO]- 350.17617 179.7
[M+Na-2H]- 312.13699 174.2
[M]+ 291.16177 169.4
[M]- 291.16287 169.4
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.