CID 71781

Glemanserin

Structural Information

Molecular Formula
C20H25NO
SMILES
C1CN(CCC1C(C2=CC=CC=C2)O)CCC3=CC=CC=C3
InChI
InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
InChIKey
AXNGJCOYCMDPQG-UHFFFAOYSA-N
Compound name
phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

878
Patents

295.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.7
[M+Na]+ 318.18282 174.9
[M-H]- 294.18632 177.8
[M+NH4]+ 313.22742 184.7
[M+K]+ 334.15676 169.4
[M+H-H2O]+ 278.19086 162.7
[M+HCOO]- 340.19180 188.3
[M+CH3COO]- 354.20745 181.2
[M+Na-2H]- 316.16827 174.6
[M]+ 295.19305 166.5
[M]- 295.19415 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe