CID 382167

Nsc669625

Structural Information

Molecular Formula
C14H18NO4P
SMILES
CCOP(=O)(C)C(CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C14H18NO4P/c1-3-19-20(2,18)13(14(16)17)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,3,8H2,1-2H3,(H,16,17)
InChIKey
VUSTUXNUGXRMHS-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10463 169.9
[M+Na]+ 318.08657 176.4
[M-H]- 294.09007 169.3
[M+NH4]+ 313.13117 185.6
[M+K]+ 334.06051 173.4
[M+H-H2O]+ 278.09461 161.3
[M+HCOO]- 340.09555 192.9
[M+CH3COO]- 354.11120 197.7
[M+Na-2H]- 316.07202 170.1
[M]+ 295.09680 173.1
[M]- 295.09790 173.1
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.