CID 6477471

Nsc669585

Structural Information

Molecular Formula
C13H14NO5P
SMILES
COP(=O)(/C(=C\C1=CNC2=CC=CC=C21)/C(=O)O)OC
InChI
InChI=1S/C13H14NO5P/c1-18-20(17,19-2)12(13(15)16)7-9-8-14-11-6-4-3-5-10(9)11/h3-8,14H,1-2H3,(H,15,16)/b12-7-
InChIKey
RSZCOKNQGBVIPH-GHXNOFRVSA-N
Compound name
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06097 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06825 166.1
[M+Na]+ 318.05019 173.2
[M-H]- 294.05369 165.8
[M+NH4]+ 313.09479 181.7
[M+K]+ 334.02413 170.6
[M+H-H2O]+ 278.05823 157.7
[M+HCOO]- 340.05917 189.9
[M+CH3COO]- 354.07482 195.3
[M+Na-2H]- 316.03564 167.3
[M]+ 295.06042 169.6
[M]- 295.06152 169.6
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.