CID 25224941

Chembl463585

Structural Information

Molecular Formula
C16H22N2
SMILES
CCCCC1(CCNC1)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3
InChIKey
FIIZGBLPZZYXCS-UHFFFAOYSA-N
Compound name
5-(3-butylpyrrolidin-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

242.1783 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 158.4
[M+Na]+ 265.167518 165.6
[M-H]- 241.171024 160.7
[M+NH4]+ 260.212123 178.4
[M+K]+ 281.141458 159.4
[M+H-H2O]+ 225.175560 150.8
[M+HCOO]- 287.176501 176.7
[M+CH3COO]- 301.192151 169.4
[M+Na-2H]- 263.152966 161.2
[M]+ 242.17775142 155.3
[M]- 242.17884858 155.3
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