CID 1354577

Nsc687862

Structural Information

Molecular Formula
C23H18N4OS
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N4OS/c28-22(26-27-23(29)24-17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)25-20-14-8-7-13-18(19)20/h1-15H,(H,26,28)(H2,24,27,29)
InChIKey
BNNDFMXTUZWVAA-UHFFFAOYSA-N
Compound name
1-phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.12740 189.8
[M+Na]+ 421.10934 194.9
[M-H]- 397.11284 198.2
[M+NH4]+ 416.15394 199.3
[M+K]+ 437.08328 187.3
[M+H-H2O]+ 381.11738 179.5
[M+HCOO]- 443.11832 207.5
[M+CH3COO]- 457.13397 198.2
[M+Na-2H]- 419.09479 195.8
[M]+ 398.11957 188.3
[M]- 398.12067 188.3
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.