CID 9568778

Cinnamaldehyde azine

Structural Information

Molecular Formula
C18H16N2
SMILES
C1=CC=C(C=C1)/C=C/C=N/N=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H16N2/c1-3-9-17(10-4-1)13-7-15-19-20-16-8-14-18-11-5-2-6-12-18/h1-16H/b13-7+,14-8+,19-15+,20-16+
InChIKey
MIBXLDBZXACZIE-MKXOLOGGSA-N
Compound name
(E,E)-3-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

260.13135 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13863 161.3
[M+Na]+ 283.12057 166.9
[M-H]- 259.12407 169.7
[M+NH4]+ 278.16517 178.3
[M+K]+ 299.09451 161.2
[M+H-H2O]+ 243.12861 152.2
[M+HCOO]- 305.12955 190.2
[M+CH3COO]- 319.14520 203.2
[M+Na-2H]- 281.10602 168.9
[M]+ 260.13080 161.0
[M]- 260.13190 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe