CID 6448396

Brn 4605098

Structural Information

Molecular Formula
C26H22N4O4
SMILES
C1COCCN1C2=CC=C(C=C2)N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C26H22N4O4/c31-26-24(18-19-4-2-1-3-5-19)27-25(20-6-8-23(9-7-20)30(32)33)29(26)22-12-10-21(11-13-22)28-14-16-34-17-15-28/h1-13,18H,14-17H2/b24-18-
InChIKey
RERZAQWBKIHXTE-MOHJPFBDSA-N
Compound name
(5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1641 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17138 210.6
[M+Na]+ 477.15332 213.2
[M-H]- 453.15682 222.1
[M+NH4]+ 472.19792 212.5
[M+K]+ 493.12726 203.0
[M+H-H2O]+ 437.16136 200.7
[M+HCOO]- 499.16230 225.5
[M+CH3COO]- 513.17795 225.1
[M+Na-2H]- 475.13877 211.2
[M]+ 454.16355 204.0
[M]- 454.16465 204.0
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.