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]+ 293.085556 162.3
[M+Na]+ 315.067498 174.4
[M-H]- 291.071004 166.4
[M+NH4]+ 310.112103 177.5
[M+K]+ 331.041438 166.1
[M+H-H2O]+ 275.075540 154.4
[M+HCOO]- 337.076481 178.2
[M+CH3COO]- 351.092131 173.8
[M+Na-2H]- 313.052946 168.3
[M]+ 292.07773142 164.0
[M]- 292.07882858 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.