CID 135612698

133381-48-3

Structural Information

Molecular Formula
C31H23FN2O
SMILES
CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC=C4C(=O)/C=C/C5=CC=CC=C5F
InChI
InChI=1S/C31H23FN2O/c1-21-14-16-23(17-15-21)31-26(24-9-3-7-13-29(24)34-31)20-33-28-12-6-4-10-25(28)30(35)19-18-22-8-2-5-11-27(22)32/h2-20,34H,1H3/b19-18+,33-20?
InChIKey
DXOHIKQTCUHNLK-QUGUFNDCSA-N
Compound name
(E)-3-(2-fluorophenyl)-1-[2-[[2-(4-methylphenyl)-1H-indol-3-yl]methylideneamino]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.17944 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18672 217.8
[M+Na]+ 481.16866 235.2
[M+NH4]+ 476.21326 225.1
[M+K]+ 497.14260 224.8
[M-H]- 457.17216 226.0
[M+Na-2H]- 479.15411 229.0
[M]+ 458.17889 222.8
[M]- 458.17999 222.8
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.