CID 44358171

Brn 4700533

Structural Information

Molecular Formula
C18H18FN
SMILES
C1C[C@H]2[C@@H](C3=CC=CC=C3[C@H]2NC1)C4=CC=CC=C4F
InChI
InChI=1S/C18H18FN/c19-16-10-4-3-8-14(16)17-12-6-1-2-7-13(12)18-15(17)9-5-11-20-18/h1-4,6-8,10,15,17-18,20H,5,9,11H2/t15-,17-,18+/m0/s1
InChIKey
KKPWMPXJALUDFK-RYQLBKOJSA-N
Compound name
(4aS,5S,9bS)-5-(2-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.14233 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14961 161.3
[M+Na]+ 290.13155 168.3
[M-H]- 266.13505 165.2
[M+NH4]+ 285.17615 179.4
[M+K]+ 306.10549 161.0
[M+H-H2O]+ 250.13959 152.4
[M+HCOO]- 312.14053 176.5
[M+CH3COO]- 326.15618 171.7
[M+Na-2H]- 288.11700 163.9
[M]+ 267.14178 154.5
[M]- 267.14288 154.5
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

No patent data available for this compound.