CID 37773

Bispropoxur sulfide

Structural Information

Molecular Formula
C22H28N2O6S
SMILES
CC(C)OC1=CC=CC=C1OC(=O)NCSCNC(=O)OC2=CC=CC=C2OC(C)C
InChI
InChI=1S/C22H28N2O6S/c1-15(2)27-17-9-5-7-11-19(17)29-21(25)23-13-31-14-24-22(26)30-20-12-8-6-10-18(20)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKey
HTBIEMSFCMZXHE-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-[[(2-propan-2-yloxyphenoxy)carbonylamino]methylsulfanylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1668 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17408 207.4
[M+Na]+ 471.15602 208.7
[M-H]- 447.15952 212.7
[M+NH4]+ 466.20062 215.4
[M+K]+ 487.12996 207.1
[M+H-H2O]+ 431.16406 197.4
[M+HCOO]- 493.16500 223.2
[M+CH3COO]- 507.18065 233.5
[M+Na-2H]- 469.14147 204.9
[M]+ 448.16625 214.9
[M]- 448.16735 214.9
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.