CID 9650924

Benzophenone, azine with cinnamaldehyde

Structural Information

Molecular Formula
C22H18N2
SMILES
C1=CC=C(C=C1)/C=C/C=N/N=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H18N2/c1-4-11-19(12-5-1)13-10-18-23-24-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-18H/b13-10+,23-18+
InChIKey
PBBXNORKHFDZPJ-QSUZBBGVSA-N
Compound name
(E,E)-N-(benzhydrylideneamino)-3-phenylprop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.147 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15428 175.4
[M+Na]+ 333.13622 179.7
[M-H]- 309.13972 186.4
[M+NH4]+ 328.18082 189.5
[M+K]+ 349.11016 173.5
[M+H-H2O]+ 293.14426 164.7
[M+HCOO]- 355.14520 202.8
[M+CH3COO]- 369.16085 186.2
[M+Na-2H]- 331.12167 182.0
[M]+ 310.14645 173.7
[M]- 310.14755 173.7
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.