CID 60547

Gevotroline

Structural Information

Molecular Formula
C19H20FN3
SMILES
C1CN(CC2=C1NC3=C2C=C(C=C3)F)CCCC4=CN=CC=C4
InChI
InChI=1S/C19H20FN3/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14/h1,3,5-6,8,11-12,22H,2,4,7,9-10,13H2
InChIKey
RZXHTPCHKSYGIB-UHFFFAOYSA-N
Compound name
8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

683
Patents

309.16412 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.171396 173.4
[M+Na]+ 332.153338 181.9
[M-H]- 308.156844 174.9
[M+NH4]+ 327.197943 187.1
[M+K]+ 348.127278 173.6
[M+H-H2O]+ 292.161380 162.2
[M+HCOO]- 354.162321 188.3
[M+CH3COO]- 368.177971 182.8
[M+Na-2H]- 330.138786 177.3
[M]+ 309.16357142 170.8
[M]- 309.16466858 170.8
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