CID 20838764

Ns00056406

Structural Information

Molecular Formula
C23H21N5O2
SMILES
CN1C(N(C2=NC3=CC=CC=C3N=C21)C)/C=C/C4=C(N(OC4=O)C)C5=CC=CC=C5
InChI
InChI=1S/C23H21N5O2/c1-26-19(27(2)22-21(26)24-17-11-7-8-12-18(17)25-22)14-13-16-20(28(3)30-23(16)29)15-9-5-4-6-10-15/h4-14,19H,1-3H3/b14-13+
InChIKey
WALAEAPUXSCDNA-BUHFOSPRSA-N
Compound name
4-[(E)-2-(1,3-dimethyl-2H-imidazo[4,5-b]quinoxalin-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.16953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.176806 201.3
[M+Na]+ 422.158748 214.2
[M-H]- 398.162254 209.0
[M+NH4]+ 417.203353 210.1
[M+K]+ 438.132688 206.6
[M+H-H2O]+ 382.166790 190.0
[M+HCOO]- 444.167731 217.4
[M+CH3COO]- 458.183381 211.1
[M+Na-2H]- 420.144196 200.1
[M]+ 399.16898142 206.7
[M]- 399.17007858 206.7
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.