CID 3021253

2-((dimethylamino)methyl)-3-phenyl-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C18H23NO
SMILES
CN(C)CC1C(C2=C(C1=O)CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H23NO/c1-19(2)12-16-17(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18(16)20/h3-5,8-9,16-17H,6-7,10-12H2,1-2H3
InChIKey
IPEADTFEFBEYKA-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-3-phenyl-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 164.6
[M+Na]+ 292.167198 170.0
[M-H]- 268.170704 172.9
[M+NH4]+ 287.211803 184.2
[M+K]+ 308.141138 166.3
[M+H-H2O]+ 252.175240 157.2
[M+HCOO]- 314.176181 185.8
[M+CH3COO]- 328.191831 205.4
[M+Na-2H]- 290.152646 165.5
[M]+ 269.17743142 162.7
[M]- 269.17852858 162.7
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.