CID 102500234

2-benzofurancarbothioamide, n-(2,5-dimethoxyphenyl)-4,6-dimethyl-

Structural Information

Molecular Formula
C19H19NO3S
SMILES
CC1=CC(=C2C=C(OC2=C1)C(=S)NC3=C(C=CC(=C3)OC)OC)C
InChI
InChI=1S/C19H19NO3S/c1-11-7-12(2)14-10-18(23-17(14)8-11)19(24)20-15-9-13(21-3)5-6-16(15)22-4/h5-10H,1-4H3,(H,20,24)
InChIKey
OXZWLIKGQKNFES-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-4,6-dimethyl-1-benzofuran-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

341.10855 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11583 180.3
[M+Na]+ 364.09777 190.9
[M-H]- 340.10127 190.2
[M+NH4]+ 359.14237 196.6
[M+K]+ 380.07171 187.2
[M+H-H2O]+ 324.10581 173.6
[M+HCOO]- 386.10675 199.9
[M+CH3COO]- 400.12240 214.3
[M+Na-2H]- 362.08322 181.3
[M]+ 341.10800 189.3
[M]- 341.10910 189.3
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

patents stripe