CID 218934

Brn 2139080

Structural Information

Molecular Formula
C13H22NO3PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H22NO3PS/c1-5-17-18(4,15)19-11-10-14(2)12-6-8-13(16-3)9-7-12/h6-9H,5,10-11H2,1-4H3
InChIKey
VCYVNKLZFCNDMZ-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1058 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11308 169.0
[M+Na]+ 326.09502 178.2
[M+NH4]+ 321.13962 175.7
[M+K]+ 342.06896 171.2
[M-H]- 302.09852 170.1
[M+Na-2H]- 324.08047 173.2
[M]+ 303.10525 170.9
[M]- 303.10635 170.9
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.