CID 3004831

Nsc659851

Structural Information

Molecular Formula
C24H20N4O2S2
SMILES
C1=CC=C(C=C1)CS(=O)/C(=C\NC(=S)N=NC2=C(NC3=CC=CC=C32)O)/C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S2/c29-23-22(19-13-7-8-14-20(19)26-23)27-28-24(31)25-15-21(18-11-5-2-6-12-18)32(30)16-17-9-3-1-4-10-17/h1-15,26,29H,16H2,(H,25,31)/b21-15-,28-27?
InChIKey
SWCCYBMDPOUDRH-BSPYEKHTSA-N
Compound name
1-[(Z)-2-benzylsulfinyl-2-phenylethenyl]-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.10278 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.11006 204.9
[M+Na]+ 483.09200 210.7
[M-H]- 459.09550 213.4
[M+NH4]+ 478.13660 214.1
[M+K]+ 499.06594 202.1
[M+H-H2O]+ 443.10004 196.3
[M+HCOO]- 505.10098 218.6
[M+CH3COO]- 519.11663 212.5
[M+Na-2H]- 481.07745 207.3
[M]+ 460.10223 206.7
[M]- 460.10333 206.7
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.