CID 1471601

860621-03-0

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC2=C(C=CC=N2)C(=C1)NC(=S)N
InChI
InChI=1S/C10H9N3S/c11-10(14)13-9-5-1-4-8-7(9)3-2-6-12-8/h1-6H,(H3,11,13,14)
InChIKey
TUAOXEMLOUKHAY-UHFFFAOYSA-N
Compound name
quinolin-5-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

203.05171 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.058986 139.3
[M+Na]+ 226.040928 147.5
[M-H]- 202.044434 142.2
[M+NH4]+ 221.085533 157.9
[M+K]+ 242.014868 142.7
[M+H-H2O]+ 186.048970 132.6
[M+HCOO]- 248.049911 157.5
[M+CH3COO]- 262.065561 151.7
[M+Na-2H]- 224.026376 145.6
[M]+ 203.05116142 137.8
[M]- 203.05225858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe