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 171.1
[M+Na]+ 345.07806 178.1
[M-H]- 321.08156 178.0
[M+NH4]+ 340.12266 184.6
[M+K]+ 361.05200 171.9
[M+H-H2O]+ 305.08610 162.0
[M+HCOO]- 367.08704 190.4
[M+CH3COO]- 381.10269 181.5
[M+Na-2H]- 343.06351 176.3
[M]+ 322.08829 170.4
[M]- 322.08939 170.4
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.