CID 3001119

Thiourea, n-2-benzothiazolyl-n'-(2-phenylethyl)-

Structural Information

Molecular Formula
C16H15N3S2
SMILES
C1=CC=C(C=C1)CCNC(=S)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H15N3S2/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
PKNPAMNXDLTPNX-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-3-(2-phenylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

313.07074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07802 166.0
[M+Na]+ 336.05996 174.9
[M-H]- 312.06346 172.3
[M+NH4]+ 331.10456 182.6
[M+K]+ 352.03390 167.4
[M+H-H2O]+ 296.06800 158.9
[M+HCOO]- 358.06894 181.3
[M+CH3COO]- 372.08459 177.2
[M+Na-2H]- 334.04541 170.0
[M]+ 313.07019 168.6
[M]- 313.07129 168.6
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

No patent data available for this compound.