CID 49815

Vufb-10596

Structural Information

Molecular Formula
C22H25NO
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C22H25NO/c1-23(14-16-7-3-2-4-8-16)15-21(24)22-19-11-5-9-17(19)13-18-10-6-12-20(18)22/h2-4,7-8,13H,5-6,9-12,14-15H2,1H3
InChIKey
QWOHHXKXDPDOED-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 178.7
[M+Na]+ 342.18282 189.9
[M+NH4]+ 337.22742 188.7
[M+K]+ 358.15676 184.9
[M-H]- 318.18632 184.4
[M+Na-2H]- 340.16827 184.2
[M]+ 319.19305 181.9
[M]- 319.19415 181.9
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.