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]+ 443.175396 209.8
[M+Na]+ 465.157338 216.4
[M-H]- 441.160844 220.7
[M+NH4]+ 460.201943 218.1
[M+K]+ 481.131278 206.6
[M+H-H2O]+ 425.165380 198.1
[M+HCOO]- 487.166321 230.6
[M+CH3COO]- 501.181971 217.9
[M+Na-2H]- 463.142786 211.0
[M]+ 442.16757142 209.0
[M]- 442.16866858 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.