CID 135705533

4h-imidazol-4-one, 3,5-dihydro-3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-(1h-indol-3-ylmethylene)-

Structural Information

Molecular Formula
C24H15Cl2N3O
SMILES
C1=CC=C2C(=C1)/C(=C/C3=C(N(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)O)/C=N2
InChI
InChI=1S/C24H15Cl2N3O/c25-17-11-9-15(10-12-17)23-28-21(13-16-14-27-20-7-3-1-5-18(16)20)24(30)29(23)22-8-4-2-6-19(22)26/h1-14,30H/b16-13+
InChIKey
NPEZEUHQLYWXAU-DTQAZKPQSA-N
Compound name
3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-[(Z)-indol-3-ylidenemethyl]imidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.0592 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.06648 204.4
[M+Na]+ 454.04842 216.2
[M-H]- 430.05192 213.1
[M+NH4]+ 449.09302 215.1
[M+K]+ 470.02236 205.6
[M+H-H2O]+ 414.05646 193.2
[M+HCOO]- 476.05740 213.8
[M+CH3COO]- 490.07305 213.5
[M+Na-2H]- 452.03387 201.6
[M]+ 431.05865 208.2
[M]- 431.05975 208.2
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.