CID 44129621

5-[2-(1h-pyrrol-1-yl)ethoxy]-1h-indole

Structural Information

Molecular Formula
C14H14N2O
SMILES
C1=CN(C=C1)CCOC2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
InChIKey
NSZDJRLPCLOQAM-UHFFFAOYSA-N
Compound name
5-(2-pyrrol-1-ylethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

226.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 149.0
[M+Na]+ 249.099828 158.3
[M-H]- 225.103334 153.3
[M+NH4]+ 244.144433 168.3
[M+K]+ 265.073768 153.6
[M+H-H2O]+ 209.107870 141.2
[M+HCOO]- 271.108811 172.4
[M+CH3COO]- 285.124461 162.0
[M+Na-2H]- 247.085276 154.3
[M]+ 226.11006142 151.0
[M]- 226.11115858 151.0
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