CID 9577594

Stauffer r 14493

Structural Information

Molecular Formula
C16H25N2O5PS
SMILES
CCCCNC(=O)O/N=C/C1=CC=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C16H25N2O5PS/c1-4-7-12-17-16(19)22-18-13-14-8-10-15(11-9-14)23-24(25,20-5-2)21-6-3/h8-11,13H,4-7,12H2,1-3H3,(H,17,19)/b18-13+
InChIKey
YADRSUMYNAYPTG-QGOAFFKASA-N
Compound name
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1222 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12948 189.2
[M+Na]+ 411.11142 192.6
[M-H]- 387.11492 191.8
[M+NH4]+ 406.15602 201.6
[M+K]+ 427.08536 190.6
[M+H-H2O]+ 371.11946 178.1
[M+HCOO]- 433.12040 214.1
[M+CH3COO]- 447.13605 223.5
[M+Na-2H]- 409.09687 188.6
[M]+ 388.12165 198.8
[M]- 388.12275 198.8
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.