CID 487291

8-(1h-benzimidazol-2-ylsulfanyl)quinolin-5-amine

Structural Information

Molecular Formula
C16H12N4S
SMILES
C1=CC=C2C(=C1)NC(=N2)SC3=C4C(=C(C=C3)N)C=CC=N4
InChI
InChI=1S/C16H12N4S/c17-11-7-8-14(15-10(11)4-3-9-18-15)21-16-19-12-5-1-2-6-13(12)20-16/h1-9H,17H2,(H,19,20)
InChIKey
GLAPCDRTDGIDKR-UHFFFAOYSA-N
Compound name
8-(1H-benzimidazol-2-ylsulfanyl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.07828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08556 162.3
[M+Na]+ 315.06750 174.4
[M-H]- 291.07100 166.4
[M+NH4]+ 310.11210 177.5
[M+K]+ 331.04144 166.1
[M+H-H2O]+ 275.07554 154.4
[M+HCOO]- 337.07648 178.2
[M+CH3COO]- 351.09213 173.8
[M+Na-2H]- 313.05295 168.3
[M]+ 292.07773 164.0
[M]- 292.07883 164.0
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

No patent data available for this compound.