CID 5866643

Nsc669637

Structural Information

Molecular Formula
C17H20NO6P
SMILES
CCOC(=O)/C(=C\C1=CN(C2=CC=CC=C21)C(=O)C)/P(=O)(OC)OC
InChI
InChI=1S/C17H20NO6P/c1-5-24-17(20)16(25(21,22-3)23-4)10-13-11-18(12(2)19)15-9-7-6-8-14(13)15/h6-11H,5H2,1-4H3/b16-10+
InChIKey
GMSYMTOIHWKHQD-MHWRWJLKSA-N
Compound name
ethyl (E)-3-(1-acetylindol-3-yl)-2-dimethoxyphosphorylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11008 183.5
[M+Na]+ 388.09202 190.5
[M-H]- 364.09552 185.9
[M+NH4]+ 383.13662 197.9
[M+K]+ 404.06596 189.5
[M+H-H2O]+ 348.10006 174.4
[M+HCOO]- 410.10100 208.4
[M+CH3COO]- 424.11665 214.1
[M+Na-2H]- 386.07747 182.3
[M]+ 365.10225 192.6
[M]- 365.10335 192.6
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.