CID 487282

8-(2-aminophenylthio)-5-quinolylamine

Structural Information

Molecular Formula
C15H13N3S
SMILES
C1=CC=C(C(=C1)N)SC2=C3C(=C(C=C2)N)C=CC=N3
InChI
InChI=1S/C15H13N3S/c16-11-7-8-14(15-10(11)4-3-9-18-15)19-13-6-2-1-5-12(13)17/h1-9H,16-17H2
InChIKey
FTBGWOVDJGVJFM-UHFFFAOYSA-N
Compound name
8-(2-aminophenyl)sulfanylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.083 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 156.7
[M+Na]+ 290.07222 166.0
[M-H]- 266.07572 162.5
[M+NH4]+ 285.11682 172.7
[M+K]+ 306.04616 159.1
[M+H-H2O]+ 250.08026 148.8
[M+HCOO]- 312.08120 175.0
[M+CH3COO]- 326.09685 168.4
[M+Na-2H]- 288.05767 162.1
[M]+ 267.08245 155.7
[M]- 267.08355 155.7
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.