CID 9567547

3652-39-9

Structural Information

Molecular Formula
C11H10N4S
SMILES
C1=CC2=C(C(=C1)/C=N/NC(=S)N)N=CC=C2
InChI
InChI=1S/C11H10N4S/c12-11(16)15-14-7-9-4-1-3-8-5-2-6-13-10(8)9/h1-7H,(H3,12,15,16)/b14-7+
InChIKey
BLGCVICZLQXPMM-VGOFMYFVSA-N
Compound name
[(E)-quinolin-8-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06262 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06990 147.3
[M+Na]+ 253.05184 158.5
[M+NH4]+ 248.09644 155.9
[M+K]+ 269.02578 149.7
[M-H]- 229.05534 151.5
[M+Na-2H]- 251.03729 154.5
[M]+ 230.06207 150.3
[M]- 230.06317 150.3
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

No patent data available for this compound.