CID 20076

Win 18437

Structural Information

Molecular Formula
C21H25N3
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3/c1-17-19(20-9-5-6-10-21(20)22-17)11-12-23-13-15-24(16-14-23)18-7-3-2-4-8-18/h2-10,22H,11-16H2,1H3
InChIKey
FVTXUALVQNDJRJ-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.20483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 179.1
[M+Na]+ 342.19405 185.6
[M-H]- 318.19755 183.7
[M+NH4]+ 337.23865 191.0
[M+K]+ 358.16799 177.5
[M+H-H2O]+ 302.20209 167.9
[M+HCOO]- 364.20303 194.5
[M+CH3COO]- 378.21868 188.0
[M+Na-2H]- 340.17950 180.9
[M]+ 319.20428 175.3
[M]- 319.20538 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe