CID 9570371

Ai3-27542

Structural Information

Molecular Formula
C14H21N2O5PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C(=N/OC(=O)NC)/C
InChI
InChI=1S/C14H21N2O5PS/c1-5-18-22(23,19-6-2)21-13-9-7-12(8-10-13)11(3)16-20-14(17)15-4/h7-10H,5-6H2,1-4H3,(H,15,17)/b16-11+
InChIKey
KQSSEPJKQFMIJH-LFIBNONCSA-N
Compound name
[(E)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09088 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09816 180.5
[M+Na]+ 383.08010 184.4
[M-H]- 359.08360 183.6
[M+NH4]+ 378.12470 193.9
[M+K]+ 399.05404 183.5
[M+H-H2O]+ 343.08814 169.9
[M+HCOO]- 405.08908 205.0
[M+CH3COO]- 419.10473 218.3
[M+Na-2H]- 381.06555 179.8
[M]+ 360.09033 188.8
[M]- 360.09143 188.8
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.