CID 47759

Furathiocarb

Structural Information

Molecular Formula
C18H26N2O5S
SMILES
CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI
InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
InChIKey
HAWJXYBZNNRMNO-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[butoxycarbonyl(methyl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

12
References

25947
Patents

382.15625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16353 191.4
[M+Na]+ 405.14547 196.0
[M-H]- 381.14897 198.4
[M+NH4]+ 400.19007 207.9
[M+K]+ 421.11941 197.6
[M+H-H2O]+ 365.15351 185.2
[M+HCOO]- 427.15445 208.2
[M+CH3COO]- 441.17010 226.0
[M+Na-2H]- 403.13092 191.5
[M]+ 382.15570 201.9
[M]- 382.15680 201.9
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