CID 5468401

Nsc669638

Structural Information

Molecular Formula
C16H19N2O5P
SMILES
CC(=O)N/C(=C\C1=CN(C2=CC=CC=C21)C(=O)C)/P(=O)(OC)OC
InChI
InChI=1S/C16H19N2O5P/c1-11(19)17-16(24(21,22-3)23-4)9-13-10-18(12(2)20)15-8-6-5-7-14(13)15/h5-10H,1-4H3,(H,17,19)/b16-9+
InChIKey
UWRXRAKZCFIVBJ-CXUHLZMHSA-N
Compound name
N-[(E)-2-(1-acetylindol-3-yl)-1-dimethoxyphosphorylethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.10315 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11043 180.3
[M+Na]+ 373.09237 187.0
[M-H]- 349.09587 182.8
[M+NH4]+ 368.13697 195.0
[M+K]+ 389.06631 185.6
[M+H-H2O]+ 333.10041 171.0
[M+HCOO]- 395.10135 206.4
[M+CH3COO]- 409.11700 214.2
[M+Na-2H]- 371.07782 179.9
[M]+ 350.10260 186.8
[M]- 350.10370 186.8
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.