CID 6507275

22942-43-4

Structural Information

Molecular Formula
C15H23N2O5PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C(=N\OC(=O)N(C)C)/C
InChI
InChI=1S/C15H23N2O5PS/c1-6-19-23(24,20-7-2)22-14-10-8-13(9-11-14)12(3)16-21-15(18)17(4)5/h8-11H,6-7H2,1-5H3/b16-12-
InChIKey
OBBBQWCRYZINRG-VBKFSLOCSA-N
Compound name
[(Z)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11382 184.6
[M+Na]+ 397.09576 188.4
[M-H]- 373.09926 189.1
[M+NH4]+ 392.14036 198.2
[M+K]+ 413.06970 188.7
[M+H-H2O]+ 357.10380 173.8
[M+HCOO]- 419.10474 209.3
[M+CH3COO]- 433.12039 224.5
[M+Na-2H]- 395.08121 182.9
[M]+ 374.10599 194.7
[M]- 374.10709 194.7
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.