CID 6448395

Brn 4591445

Structural Information

Molecular Formula
C26H22ClN3O2
SMILES
C1COCCN1C2=CC=C(C=C2)N3C(=N/C(=C\C4=CC=CC=C4)/C3=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H22ClN3O2/c27-21-8-6-20(7-9-21)25-28-24(18-19-4-2-1-3-5-19)26(31)30(25)23-12-10-22(11-13-23)29-14-16-32-17-15-29/h1-13,18H,14-17H2/b24-18-
InChIKey
HXFBCMHGQSTZNG-MOHJPFBDSA-N
Compound name
(5Z)-5-benzylidene-2-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14733 210.8
[M+Na]+ 466.12927 217.4
[M-H]- 442.13277 221.9
[M+NH4]+ 461.17387 215.6
[M+K]+ 482.10321 209.1
[M+H-H2O]+ 426.13731 196.8
[M+HCOO]- 488.13825 220.4
[M+CH3COO]- 502.15390 217.9
[M+Na-2H]- 464.11472 207.6
[M]+ 443.13950 208.3
[M]- 443.14060 208.3
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.