CID 10470490

Lobelane

Structural Information

Molecular Formula
C22H29N
SMILES
CN1[C@H](CCC[C@H]1CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+
InChIKey
ISVBJSRQEBWKPB-SZPZYZBQSA-N
Compound name
(2S,6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

19
Patents

307.23 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.23728 178.3
[M+Na]+ 330.21922 181.4
[M-H]- 306.22272 184.6
[M+NH4]+ 325.26382 191.0
[M+K]+ 346.19316 175.2
[M+H-H2O]+ 290.22726 167.7
[M+HCOO]- 352.22820 195.5
[M+CH3COO]- 366.24385 187.1
[M+Na-2H]- 328.20467 179.8
[M]+ 307.22945 174.1
[M]- 307.23055 174.1
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