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]+ 320.20088 176.8
[M+Na]+ 342.18282 183.5
[M-H]- 318.18632 184.6
[M+NH4]+ 337.22742 193.2
[M+K]+ 358.15676 183.0
[M+H-H2O]+ 302.19086 170.9
[M+HCOO]- 364.19180 199.2
[M+CH3COO]- 378.20745 217.6
[M+Na-2H]- 340.16827 182.3
[M]+ 319.19305 179.2
[M]- 319.19415 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.