CID 135521387

Nsc659974

Structural Information

Molecular Formula
C25H19N3O3S
SMILES
C1=CC=C(C=C1)/C(=C(\C=N\C(=S)NC2C3=CC=CC=C3NC2=O)/C(=O)C4=CC=CC=C4)/O
InChI
InChI=1S/C25H19N3O3S/c29-22(16-9-3-1-4-10-16)19(23(30)17-11-5-2-6-12-17)15-26-25(32)28-21-18-13-7-8-14-20(18)27-24(21)31/h1-15,21,29H,(H,27,31)(H,28,32)/b22-19-,26-15+
InChIKey
WIAZLQCLNYAFKS-NGDYUQPOSA-N
Compound name
(1E)-1-[(Z)-2-benzoyl-3-hydroxy-3-phenylprop-2-enylidene]-3-(2-oxo-1,3-dihydroindol-3-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.11472 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.12200 204.1
[M+Na]+ 464.10394 207.1
[M-H]- 440.10744 211.2
[M+NH4]+ 459.14854 212.7
[M+K]+ 480.07788 200.0
[M+H-H2O]+ 424.11198 195.3
[M+HCOO]- 486.11292 217.0
[M+CH3COO]- 500.12857 210.8
[M+Na-2H]- 462.08939 202.4
[M]+ 441.11417 201.4
[M]- 441.11527 201.4
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.