CID 135612696

133381-46-1

Structural Information

Molecular Formula
C30H22N2O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NC4=CC=CC=C4C(=O)/C=C/C5=CC=CC=C5O
InChI
InChI=1S/C30H22N2O2/c33-28-17-9-4-10-21(28)18-19-29(34)24-14-6-7-15-26(24)31-20-25-23-13-5-8-16-27(23)32-30(25)22-11-2-1-3-12-22/h1-20,32-33H/b19-18+,31-20?
InChIKey
MDJLCXLEEFBBGP-XXKQPAJCSA-N
Compound name
(E)-3-(2-hydroxyphenyl)-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

442.16812 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17540 209.8
[M+Na]+ 465.15734 216.4
[M-H]- 441.16084 220.7
[M+NH4]+ 460.20194 218.1
[M+K]+ 481.13128 206.6
[M+H-H2O]+ 425.16538 198.1
[M+HCOO]- 487.16632 230.6
[M+CH3COO]- 501.18197 217.9
[M+Na-2H]- 463.14279 211.0
[M]+ 442.16757 209.0
[M]- 442.16867 209.0
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.