CID 218931

Brn 2746716

Structural Information

Molecular Formula
C13H22NO3PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC(=CC=C1)OC
InChI
InChI=1S/C13H22NO3PS/c1-5-17-18(4,15)19-10-9-14(2)12-7-6-8-13(11-12)16-3/h6-8,11H,5,9-10H2,1-4H3
InChIKey
ZWLGQSGIGKMDNY-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-3-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 169.3
[M+Na]+ 326.09502 174.8
[M-H]- 302.09852 172.8
[M+NH4]+ 321.13962 185.8
[M+K]+ 342.06896 173.5
[M+H-H2O]+ 286.10306 159.5
[M+HCOO]- 348.10400 193.4
[M+CH3COO]- 362.11965 209.1
[M+Na-2H]- 324.08047 168.7
[M]+ 303.10525 177.8
[M]- 303.10635 177.8
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.