CID 6478458

Chembl311073

Structural Information

Molecular Formula
C20H21N2O5P
SMILES
CCOP(=O)(OCC)ON1C(=N/C(=C\C2=CC=CC=C2)/C1=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N2O5P/c1-3-25-28(24,26-4-2)27-22-19(17-13-9-6-10-14-17)21-18(20(22)23)15-16-11-7-5-8-12-16/h5-15H,3-4H2,1-2H3/b18-15-
InChIKey
GGHJXEXLESLIQA-SDXDJHTJSA-N
Compound name
[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1188 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12608 193.4
[M+Na]+ 423.10802 199.3
[M-H]- 399.11152 199.2
[M+NH4]+ 418.15262 203.0
[M+K]+ 439.08196 195.9
[M+H-H2O]+ 383.11606 180.6
[M+HCOO]- 445.11700 218.2
[M+CH3COO]- 459.13265 219.5
[M+Na-2H]- 421.09347 192.2
[M]+ 400.11825 198.0
[M]- 400.11935 198.0
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.