CID 22402958

2-(4,5-dihydro-1h-imidazol-2-yl)-1h-indole

Structural Information

Molecular Formula
C11H11N3
SMILES
C1CN=C(N1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C11H11N3/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11/h1-4,7,14H,5-6H2,(H,12,13)
InChIKey
RFUSGALWQQKBEW-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

185.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10257 138.9
[M+Na]+ 208.08451 152.0
[M+NH4]+ 203.12911 147.5
[M+K]+ 224.05845 148.8
[M-H]- 184.08801 140.9
[M+Na-2H]- 206.06996 146.3
[M]+ 185.09474 141.2
[M]- 185.09584 141.2
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