CID 382170

Nsc669629

Structural Information

Molecular Formula
C15H20NO5P
SMILES
CCOP(=O)(C(CC1=CNC2=CC=CC=C21)C(=O)O)OCC
InChI
InChI=1S/C15H20NO5P/c1-3-20-22(19,21-4-2)14(15(17)18)9-11-10-16-13-8-6-5-7-12(11)13/h5-8,10,14,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKey
UERFMMGNOPIERE-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1079 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11518 176.8
[M+Na]+ 348.09712 182.6
[M-H]- 324.10062 176.1
[M+NH4]+ 343.14172 191.1
[M+K]+ 364.07106 180.2
[M+H-H2O]+ 308.10516 167.9
[M+HCOO]- 370.10610 199.7
[M+CH3COO]- 384.12175 202.8
[M+Na-2H]- 346.08257 176.9
[M]+ 325.10735 181.8
[M]- 325.10845 181.8
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.