CID 135742005

202190-80-5

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C20H15N3O2S/c24-17-11-10-14(22-20(25)21-13-6-2-1-3-7-13)12-15(17)19-23-16-8-4-5-9-18(16)26-19/h1-12,24H,(H2,21,22,25)
InChIKey
HKRMPJVDMMMYOC-UHFFFAOYSA-N
Compound name
1-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

361.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.095776 180.2
[M+Na]+ 384.077718 188.8
[M-H]- 360.081224 189.3
[M+NH4]+ 379.122323 193.4
[M+K]+ 400.051658 181.8
[M+H-H2O]+ 344.085760 171.8
[M+HCOO]- 406.086701 199.9
[M+CH3COO]- 420.102351 190.9
[M+Na-2H]- 382.063166 184.7
[M]+ 361.08795142 182.3
[M]- 361.08904858 182.3
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

patents stripe