CID 218933

Brn 2127423

Structural Information

Molecular Formula
C13H22NO2PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)C
InChI
InChI=1S/C13H22NO2PS/c1-5-16-17(4,15)18-11-10-14(3)13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3
InChIKey
QQBJQSFKEUGSEA-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1109 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11818 166.2
[M+Na]+ 310.10012 172.0
[M-H]- 286.10362 169.8
[M+NH4]+ 305.14472 183.6
[M+K]+ 326.07406 170.1
[M+H-H2O]+ 270.10816 156.7
[M+HCOO]- 332.10910 190.1
[M+CH3COO]- 346.12475 207.1
[M+Na-2H]- 308.08557 165.3
[M]+ 287.11035 173.3
[M]- 287.11145 173.3
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.