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

7
Patents

361.0885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 180.2
[M+Na]+ 384.07772 188.8
[M-H]- 360.08122 189.3
[M+NH4]+ 379.12232 193.4
[M+K]+ 400.05166 181.8
[M+H-H2O]+ 344.08576 171.8
[M+HCOO]- 406.08670 199.9
[M+CH3COO]- 420.10235 190.9
[M+Na-2H]- 382.06317 184.7
[M]+ 361.08795 182.3
[M]- 361.08905 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