CID 2909403

378764-13-7

Structural Information

Molecular Formula
C21H18ClN3O4
SMILES
C1=COC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CCCN4C=CN=C4)O
InChI
InChI=1S/C21H18ClN3O4/c22-15-6-4-14(5-7-15)18-17(19(26)16-3-1-12-29-16)20(27)21(28)25(18)10-2-9-24-11-8-23-13-24/h1,3-8,11-13,18,27H,2,9-10H2
InChIKey
LRZVVCRWHDNZPP-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.09857 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.10585 194.5
[M+Na]+ 434.08779 204.1
[M-H]- 410.09129 204.8
[M+NH4]+ 429.13239 204.8
[M+K]+ 450.06173 199.1
[M+H-H2O]+ 394.09583 185.6
[M+HCOO]- 456.09677 210.3
[M+CH3COO]- 470.11242 204.9
[M+Na-2H]- 432.07324 189.6
[M]+ 411.09802 201.2
[M]- 411.09912 201.2
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.