CID 382132

Nsc669578

Structural Information

Molecular Formula
C16H20NO6P
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)P(=O)(OC)OC
InChI
InChI=1S/C16H20NO6P/c1-11(18)17-10-12(13-7-5-6-8-14(13)17)9-15(16(19)21-2)24(20,22-3)23-4/h5-8,10,15H,9H2,1-4H3
InChIKey
RMTYGSVXQWGAOG-UHFFFAOYSA-N
Compound name
methyl 3-(1-acetylindol-3-yl)-2-dimethoxyphosphorylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11008 180.0
[M+Na]+ 376.09202 187.1
[M-H]- 352.09552 182.5
[M+NH4]+ 371.13662 194.9
[M+K]+ 392.06596 186.9
[M+H-H2O]+ 336.10006 170.9
[M+HCOO]- 398.10100 205.0
[M+CH3COO]- 412.11665 212.7
[M+Na-2H]- 374.07747 179.3
[M]+ 353.10225 189.5
[M]- 353.10335 189.5
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.