CID 9578529

Ai3-27664

Structural Information

Molecular Formula
C14H21N2O5PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N(C)C
InChI
InChI=1S/C14H21N2O5PS/c1-5-18-22(23,19-6-2)21-13-9-7-12(8-10-13)11-15-20-14(17)16(3)4/h7-11H,5-6H2,1-4H3/b15-11+
InChIKey
KYFJLBDYNHBXFW-RVDMUPIBSA-N
Compound name
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09816 180.1
[M+Na]+ 383.08010 184.6
[M-H]- 359.08360 184.8
[M+NH4]+ 378.12470 194.4
[M+K]+ 399.05404 184.6
[M+H-H2O]+ 343.08814 169.4
[M+HCOO]- 405.08908 206.2
[M+CH3COO]- 419.10473 220.8
[M+Na-2H]- 381.06555 179.9
[M]+ 360.09033 190.5
[M]- 360.09143 190.5
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.