CID 2729523

Maybridge2_000507

Structural Information

Molecular Formula
C19H20FN3
SMILES
C1CN(CCN1CC2=CC=CC=C2F)C3=CC=CC4=C3C=CN4
InChI
InChI=1S/C19H20FN3/c20-17-5-2-1-4-15(17)14-22-10-12-23(13-11-22)19-7-3-6-18-16(19)8-9-21-18/h1-9,21H,10-14H2
InChIKey
YJSFQVKXLJBVMK-UHFFFAOYSA-N
Compound name
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

309.16412 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.171396 173.1
[M+Na]+ 332.153338 180.6
[M-H]- 308.156844 176.7
[M+NH4]+ 327.197943 185.4
[M+K]+ 348.127278 172.4
[M+H-H2O]+ 292.161380 161.3
[M+HCOO]- 354.162321 188.1
[M+CH3COO]- 368.177971 182.3
[M+Na-2H]- 330.138786 175.4
[M]+ 309.16357142 167.8
[M]- 309.16466858 167.8
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