CID 6337125

Salicylic acid, isopropyl ester, ester with o-ethyl phosphoramidothioate

Structural Information

Molecular Formula
C12H17NO4PS
SMILES
CC(C)OC(=O)C1=CC=CC=C1O[P+](=S)OCCN
InChI
InChI=1S/C12H17NO4PS/c1-9(2)16-12(14)10-5-3-4-6-11(10)17-18(19)15-8-7-13/h3-6,9H,7-8,13H2,1-2H3/q+1
InChIKey
FURKWELRJVWIGI-UHFFFAOYSA-N
Compound name
2-aminoethoxy-(2-propan-2-yloxycarbonylphenoxy)-sulfanylidenephosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06158 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06886 165.1
[M+Na]+ 325.05080 169.6
[M-H]- 301.05430 167.0
[M+NH4]+ 320.09540 180.0
[M+K]+ 341.02474 162.4
[M+H-H2O]+ 285.05884 158.3
[M+HCOO]- 347.05978 187.0
[M+CH3COO]- 361.07543 197.2
[M+Na-2H]- 323.03625 163.5
[M]+ 302.06103 168.5
[M]- 302.06213 168.5
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.