CID 24837500

93696-96-9

Structural Information

Molecular Formula
C22H25NO
SMILES
CCN(CC)CCCC1=CC(=O)C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C22H25NO/c1-3-23(4-2)15-9-10-17-16-22(24)21-14-8-7-13-20(21)19-12-6-5-11-18(17)19/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3
InChIKey
KASNEADTZATDJI-UHFFFAOYSA-N
Compound name
10-[3-(diethylamino)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

319.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 176.8
[M+Na]+ 342.182818 183.5
[M-H]- 318.186324 184.6
[M+NH4]+ 337.227423 193.2
[M+K]+ 358.156758 183.0
[M+H-H2O]+ 302.190860 170.9
[M+HCOO]- 364.191801 199.2
[M+CH3COO]- 378.207451 217.6
[M+Na-2H]- 340.168266 182.3
[M]+ 319.19305142 179.2
[M]- 319.19414858 179.2
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.