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

21
Patents

185.09529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.102566 138.1
[M+Na]+ 208.084508 147.5
[M-H]- 184.088014 139.9
[M+NH4]+ 203.129113 157.0
[M+K]+ 224.058448 142.1
[M+H-H2O]+ 168.092550 130.2
[M+HCOO]- 230.093491 158.1
[M+CH3COO]- 244.109141 150.6
[M+Na-2H]- 206.069956 143.5
[M]+ 185.09474142 135.0
[M]- 185.09583858 135.0
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