CID 135705540

127662-47-9

Structural Information

Molecular Formula
C25H18FN3O2
SMILES
CC1=NC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)F)O)/C=C\4/C=C5C=CC=CC5=N4
InChI
InChI=1S/C25H18FN3O2/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
QEKDDGOZAGOZQZ-CYVLTUHYSA-N
Compound name
3-[4-(4-fluorophenoxy)phenyl]-5-[(Z)-indol-2-ylidenemethyl]-2-methylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1383 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14558 198.8
[M+Na]+ 434.12752 210.0
[M-H]- 410.13102 208.1
[M+NH4]+ 429.17212 208.9
[M+K]+ 450.10146 201.1
[M+H-H2O]+ 394.13556 187.0
[M+HCOO]- 456.13650 218.3
[M+CH3COO]- 470.15215 208.7
[M+Na-2H]- 432.11297 197.7
[M]+ 411.13775 201.2
[M]- 411.13885 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.