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 180.0
[M+Na]+ 342.18282 184.4
[M-H]- 318.18632 188.9
[M+NH4]+ 337.22742 199.6
[M+K]+ 358.15676 179.7
[M+H-H2O]+ 302.19086 172.5
[M+HCOO]- 364.19180 200.6
[M+CH3COO]- 378.20745 190.6
[M+Na-2H]- 340.16827 179.0
[M]+ 319.19305 179.3
[M]- 319.19415 179.3
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.