CID 1480927

(quinolin-3-yl)thiourea

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NC(=S)N
InChI
InChI=1S/C10H9N3S/c11-10(14)13-8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H3,11,13,14)
InChIKey
FWHWMBUEPKVKDX-UHFFFAOYSA-N
Compound name
quinolin-3-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

62
Patents

203.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05899 139.3
[M+Na]+ 226.04093 147.5
[M-H]- 202.04443 142.2
[M+NH4]+ 221.08553 157.9
[M+K]+ 242.01487 142.7
[M+H-H2O]+ 186.04897 132.6
[M+HCOO]- 248.04991 157.5
[M+CH3COO]- 262.06556 151.7
[M+Na-2H]- 224.02638 145.6
[M]+ 203.05116 137.8
[M]- 203.05226 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

literature stripe

Patent stripe

patents stripe