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

literature stripe

Patent stripe

patents stripe