CID 9578526

22941-86-2

Structural Information

Molecular Formula
C18H30N3O5PS
SMILES
CCN(CC)CCNC(=O)O/N=C/C1=CC=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C18H30N3O5PS/c1-5-21(6-2)14-13-19-18(22)25-20-15-16-9-11-17(12-10-16)26-27(28,23-7-3)24-8-4/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,22)/b20-15+
InChIKey
ONVQUTFAVKTXKX-HMMYKYKNSA-N
Compound name
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] N-[2-(diethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.16437 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17165 200.8
[M+Na]+ 454.15359 202.4
[M-H]- 430.15709 204.3
[M+NH4]+ 449.19819 211.6
[M+K]+ 470.12753 201.6
[M+H-H2O]+ 414.16163 188.7
[M+HCOO]- 476.16257 226.4
[M+CH3COO]- 490.17822 237.8
[M+Na-2H]- 452.13904 199.4
[M]+ 431.16382 211.5
[M]- 431.16492 211.5
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.