CID 210016

1-methyl-4-(1-phenyl-2,3-dihydro-1h-inden-2-yl)piperidine

Structural Information

Molecular Formula
C21H25N
SMILES
CN1CCC(CC1)C2CC3=CC=CC=C3C2C4=CC=CC=C4
InChI
InChI=1S/C21H25N/c1-22-13-11-16(12-14-22)20-15-18-9-5-6-10-19(18)21(20)17-7-3-2-4-8-17/h2-10,16,20-21H,11-15H2,1H3
InChIKey
LIECYFJMSBKLSQ-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-phenyl-2,3-dihydro-1H-inden-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 172.0
[M+Na]+ 314.187918 176.9
[M-H]- 290.191424 180.1
[M+NH4]+ 309.232523 188.4
[M+K]+ 330.161858 170.6
[M+H-H2O]+ 274.195960 162.5
[M+HCOO]- 336.196901 188.8
[M+CH3COO]- 350.212551 182.1
[M+Na-2H]- 312.173366 172.3
[M]+ 291.19815142 166.1
[M]- 291.19924858 166.1
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

patents stripe