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

1
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

patents stripe