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]+ 270.18526 164.6
[M+Na]+ 292.16720 170.0
[M-H]- 268.17070 172.9
[M+NH4]+ 287.21180 184.2
[M+K]+ 308.14114 166.3
[M+H-H2O]+ 252.17524 157.2
[M+HCOO]- 314.17618 185.8
[M+CH3COO]- 328.19183 205.4
[M+Na-2H]- 290.15265 165.5
[M]+ 269.17743 162.7
[M]- 269.17853 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.