CID 3008845

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-phenylpropyl)thiourea

Structural Information

Molecular Formula
C18H19N3OS2
SMILES
CCC(C1=CC=CC=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C18H19N3OS2/c1-3-14(12-7-5-4-6-8-12)19-17(23)21-18-20-15-10-9-13(22-2)11-16(15)24-18/h4-11,14H,3H2,1-2H3,(H2,19,20,21,23)
InChIKey
QYXJMMWBDWBMIY-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(1-phenylpropyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.09695 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10423 179.4
[M+Na]+ 380.08617 187.2
[M-H]- 356.08967 185.6
[M+NH4]+ 375.13077 194.1
[M+K]+ 396.06011 180.5
[M+H-H2O]+ 340.09421 172.0
[M+HCOO]- 402.09515 193.0
[M+CH3COO]- 416.11080 189.5
[M+Na-2H]- 378.07162 181.1
[M]+ 357.09640 183.8
[M]- 357.09750 183.8
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

No patent data available for this compound.