CID 3001088

Thiourea, n-(2-(2,6-dimethoxyphenyl)ethyl)-n'-2-thiazolyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

323.07623 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.083506 170.9
[M+Na]+ 346.065448 178.1
[M-H]- 322.068954 176.2
[M+NH4]+ 341.110053 186.0
[M+K]+ 362.039388 172.5
[M+H-H2O]+ 306.073490 163.2
[M+HCOO]- 368.074431 185.6
[M+CH3COO]- 382.090081 207.4
[M+Na-2H]- 344.050896 170.9
[M]+ 323.07568142 175.2
[M]- 323.07677858 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

literature stripe

Patent stripe

patents stripe