CID 26586

Dtxsid10931396

Structural Information

Molecular Formula
C20H22N2O
SMILES
CN1CCCC1C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKey
SLFSSUKLMIHWLW-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.180496 172.8
[M+Na]+ 329.162438 180.5
[M-H]- 305.165944 179.9
[M+NH4]+ 324.207043 188.7
[M+K]+ 345.136378 174.0
[M+H-H2O]+ 289.170480 163.7
[M+HCOO]- 351.171421 192.5
[M+CH3COO]- 365.187071 183.7
[M+Na-2H]- 327.147886 173.4
[M]+ 306.17267142 172.1
[M]- 306.17376858 172.1
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