CID 39703

Brn 1229184

Structural Information

Molecular Formula
C19H18N2O3S2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)NCSC3=NC4=CC=CC=C4S3)C
InChI
InChI=1S/C19H18N2O3S2/c1-19(2)10-12-6-5-8-14(16(12)24-19)23-17(22)20-11-25-18-21-13-7-3-4-9-15(13)26-18/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKey
HTBZOBNSLMHZDQ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(1,3-benzothiazol-2-ylsulfanylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0759 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08318 186.1
[M+Na]+ 409.06512 197.0
[M-H]- 385.06862 194.7
[M+NH4]+ 404.10972 203.9
[M+K]+ 425.03906 193.0
[M+H-H2O]+ 369.07316 181.5
[M+HCOO]- 431.07410 199.1
[M+CH3COO]- 445.08975 197.6
[M+Na-2H]- 407.05057 188.9
[M]+ 386.07535 195.2
[M]- 386.07645 195.2
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.