CID 3004405

Nsc650817

Structural Information

Molecular Formula
C24H21N5OS2
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21N5OS2/c30-20(28-29-23(31)25-19-14-8-3-9-15-19)16-32-24-26-21(17-10-4-1-5-11-17)22(27-24)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,27)(H,28,30)(H2,25,29,31)
InChIKey
DYGUFDBATCHVTI-UHFFFAOYSA-N
Compound name
1-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.11874 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12602 200.6
[M+Na]+ 482.10796 205.6
[M-H]- 458.11146 208.8
[M+NH4]+ 477.15256 207.1
[M+K]+ 498.08190 195.7
[M+H-H2O]+ 442.11600 191.3
[M+HCOO]- 504.11694 212.8
[M+CH3COO]- 518.13259 207.4
[M+Na-2H]- 480.09341 202.2
[M]+ 459.11819 199.1
[M]- 459.11929 199.1
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.