CID 3005271

Nsc687868

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-30-18-13-11-17(12-14-18)25-24(31)28-27-23(29)20-15-22(16-7-3-2-4-8-16)26-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,27,29)(H2,25,28,31)
InChIKey
VNBVXXOXAMYAFL-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 198.4
[M+Na]+ 451.11992 203.4
[M-H]- 427.12342 206.9
[M+NH4]+ 446.16452 206.7
[M+K]+ 467.09386 196.5
[M+H-H2O]+ 411.12796 187.7
[M+HCOO]- 473.12890 215.7
[M+CH3COO]- 487.14455 206.3
[M+Na-2H]- 449.10537 203.3
[M]+ 428.13015 198.8
[M]- 428.13125 198.8
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

No patent data available for this compound.