CID 135705531

127662-45-7

Structural Information

Molecular Formula
C25H18ClN3O2
SMILES
CC1=NC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)O)/C=C\4/C=C5C=CC=CC5=N4
InChI
InChI=1S/C25H18ClN3O2/c1-16-27-24(15-19-14-17-4-2-3-5-23(17)28-19)25(30)29(16)20-8-12-22(13-9-20)31-21-10-6-18(26)7-11-21/h2-15,30H,1H3/b19-15-
InChIKey
BMTIYKJEPGIKLO-CYVLTUHYSA-N
Compound name
3-[4-(4-chlorophenoxy)phenyl]-5-[(Z)-indol-2-ylidenemethyl]-2-methylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.10876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.11604 203.9
[M+Na]+ 450.09798 223.1
[M+NH4]+ 445.14258 211.7
[M+K]+ 466.07192 216.1
[M-H]- 426.10148 211.1
[M+Na-2H]- 448.08343 214.5
[M]+ 427.10821 209.2
[M]- 427.10931 209.2
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.