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]+ 292.169596 167.5
[M+Na]+ 314.151538 175.2
[M-H]- 290.155044 175.8
[M+NH4]+ 309.196143 185.1
[M+K]+ 330.125478 175.1
[M+H-H2O]+ 274.159580 162.1
[M+HCOO]- 336.160521 190.7
[M+CH3COO]- 350.176171 179.7
[M+Na-2H]- 312.136986 174.2
[M]+ 291.16177142 169.4
[M]- 291.16286858 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.