CID 135612697

2-propen-1-one, 3-(2-fluorophenyl)-1-(2-(((2-phenyl-1h-indol-3-yl)methylene)amino)phenyl)-, (e,?)-

Structural Information

Molecular Formula
C30H21FN2O
SMILES
C1=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/C30H21FN2O/c31-26-15-7-4-10-21(26)18-19-29(34)24-14-6-8-16-27(24)32-20-25-23-13-5-9-17-28(23)33-30(25)22-11-2-1-3-12-22/h1-20,33H/b19-18+,32-20?
InChIKey
XMBPQCQAKLFEJE-YCWFQBHJSA-N
Compound name
(E)-3-(2-fluorophenyl)-1-[2-[(2-phenyl-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

444.1638 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.17108 210.9
[M+Na]+ 467.15302 218.3
[M-H]- 443.15652 221.7
[M+NH4]+ 462.19762 219.9
[M+K]+ 483.12696 207.9
[M+H-H2O]+ 427.16106 198.0
[M+HCOO]- 489.16200 232.0
[M+CH3COO]- 503.17765 219.2
[M+Na-2H]- 465.13847 211.6
[M]+ 444.16325 209.6
[M]- 444.16435 209.6
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.