CID 137073158

881659-96-7

Structural Information

Molecular Formula
C17H14N4OS
SMILES
C1=CC=C(C=C1)N(C(=S)N)/N=C/C2=CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H14N4OS/c18-17(23)21(14-7-2-1-3-8-14)19-11-13-10-12-6-4-5-9-15(12)20-16(13)22/h1-11H,(H2,18,23)(H,20,22)/b19-11+
InChIKey
JGOHAAWZADHUDC-YBFXNURJSA-N
Compound name
1-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]-1-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.08884 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09612 170.4
[M+Na]+ 345.07806 182.9
[M+NH4]+ 340.12266 178.2
[M+K]+ 361.05200 173.7
[M-H]- 321.08156 176.3
[M+Na-2H]- 343.06351 179.3
[M]+ 322.08829 174.1
[M]- 322.08939 174.1
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.