CID 3002861

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea

Structural Information

Molecular Formula
C14H17N3O2S2
SMILES
COC1=C(C=C(C=C1)CCNC(=S)NC2=NC=CS2)OC
InChI
InChI=1S/C14H17N3O2S2/c1-18-11-4-3-10(9-12(11)19-2)5-6-15-13(20)17-14-16-7-8-21-14/h3-4,7-9H,5-6H2,1-2H3,(H2,15,16,17,20)
InChIKey
UNDIWDXUSXWMAL-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07623 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08351 170.9
[M+Na]+ 346.06545 178.1
[M-H]- 322.06895 176.2
[M+NH4]+ 341.11005 186.0
[M+K]+ 362.03939 172.5
[M+H-H2O]+ 306.07349 163.2
[M+HCOO]- 368.07443 185.6
[M+CH3COO]- 382.09008 207.4
[M+Na-2H]- 344.05090 170.9
[M]+ 323.07568 175.2
[M]- 323.07678 175.2
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.