CID 135705541

127662-43-5

Structural Information

Molecular Formula
C30H20FN3O2
SMILES
C1=CC=C(C=C1)C2=NC(=C(N2C3=CC=C(C=C3)OC4=CC=C(C=C4)F)O)/C=C\5/C=C6C=CC=CC6=N5
InChI
InChI=1S/C30H20FN3O2/c31-22-10-14-25(15-11-22)36-26-16-12-24(13-17-26)34-29(20-6-2-1-3-7-20)33-28(30(34)35)19-23-18-21-8-4-5-9-27(21)32-23/h1-19,35H/b23-19-
InChIKey
UUYXALAOZMJNPK-NMWGTECJSA-N
Compound name
3-[4-(4-fluorophenoxy)phenyl]-5-[(Z)-indol-2-ylidenemethyl]-2-phenylimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.15396 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.16124 214.7
[M+Na]+ 496.14318 224.5
[M-H]- 472.14668 226.5
[M+NH4]+ 491.18778 221.4
[M+K]+ 512.11712 214.4
[M+H-H2O]+ 456.15122 201.3
[M+HCOO]- 518.15216 233.2
[M+CH3COO]- 532.16781 223.0
[M+Na-2H]- 494.12863 212.9
[M]+ 473.15341 215.8
[M]- 473.15451 215.8
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.