CID 49815

67367-71-9

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]+ 320.200876 180.0
[M+Na]+ 342.182818 184.4
[M-H]- 318.186324 188.9
[M+NH4]+ 337.227423 199.6
[M+K]+ 358.156758 179.7
[M+H-H2O]+ 302.190860 172.5
[M+HCOO]- 364.191801 200.6
[M+CH3COO]- 378.207451 190.6
[M+Na-2H]- 340.168266 179.0
[M]+ 319.19305142 179.3
[M]- 319.19414858 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.