CID 3040269

Velsicol fcs-13

Structural Information

Molecular Formula
C9H21N2O4PS
SMILES
CCOP(=O)(NC(C)C)SCC(=O)NCOC
InChI
InChI=1S/C9H21N2O4PS/c1-5-15-16(13,11-8(2)3)17-6-9(12)10-7-14-4/h8H,5-7H2,1-4H3,(H,10,12)(H,11,13)
InChIKey
LKVXWNVCAUSJKF-UHFFFAOYSA-N
Compound name
2-[ethoxy-(propan-2-ylamino)phosphoryl]sulfanyl-N-(methoxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.09598 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10326 164.3
[M+Na]+ 307.08520 167.7
[M-H]- 283.08870 162.7
[M+NH4]+ 302.12980 180.2
[M+K]+ 323.05914 167.3
[M+H-H2O]+ 267.09324 155.3
[M+HCOO]- 329.09418 186.7
[M+CH3COO]- 343.10983 204.3
[M+Na-2H]- 305.07065 163.0
[M]+ 284.09543 170.7
[M]- 284.09653 170.7
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

patents stripe