CID 68818

55107-59-0

Structural Information

Molecular Formula
C11H11N3S
SMILES
C1CN=C(N1)SC2=CNC3=CC=CC=C32
InChI
InChI=1S/C11H11N3S/c1-2-4-9-8(3-1)10(7-14-9)15-11-12-5-6-13-11/h1-4,7,14H,5-6H2,(H,12,13)
InChIKey
JENBDJGHNIOHAJ-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

342
Patents

217.06737 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07465 144.7
[M+Na]+ 240.05659 155.5
[M-H]- 216.06009 147.1
[M+NH4]+ 235.10119 163.6
[M+K]+ 256.03053 149.8
[M+H-H2O]+ 200.06463 138.1
[M+HCOO]- 262.06557 160.2
[M+CH3COO]- 276.08122 157.1
[M+Na-2H]- 238.04204 147.0
[M]+ 217.06682 144.4
[M]- 217.06792 144.4
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