CID 482075

Schembl6905516

Structural Information

Molecular Formula
C16H15N3OS
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H15N3OS/c20-15(17-11-10-12-6-2-1-3-7-12)19-16-18-13-8-4-5-9-14(13)21-16/h1-9H,10-11H2,(H2,17,18,19,20)
InChIKey
FVWDQZIJZYNAMA-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

297.0936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 164.7
[M+Na]+ 320.08282 172.8
[M-H]- 296.08632 171.5
[M+NH4]+ 315.12742 181.5
[M+K]+ 336.05676 167.2
[M+H-H2O]+ 280.09086 156.8
[M+HCOO]- 342.09180 185.8
[M+CH3COO]- 356.10745 176.5
[M+Na-2H]- 318.06827 170.2
[M]+ 297.09305 167.6
[M]- 297.09415 167.6
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