CID 91421

1,3-propanediamine, n,n'-bis(3-phenyl-2-propenylidene)-

Structural Information

Molecular Formula
C21H22N2
SMILES
C1=CC=C(C=C1)C=CC=NCCCN=CC=CC2=CC=CC=C2
InChI
InChI=1S/C21H22N2/c1-3-10-20(11-4-1)14-7-16-22-18-9-19-23-17-8-15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2
InChIKey
HDFJFEQZDSFGBX-UHFFFAOYSA-N
Compound name
N-[3-(cinnamylideneamino)propyl]-3-phenylprop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

302.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.185556 174.9
[M+Na]+ 325.167498 179.0
[M-H]- 301.171004 182.6
[M+NH4]+ 320.212103 190.1
[M+K]+ 341.141438 172.6
[M+H-H2O]+ 285.175540 165.1
[M+HCOO]- 347.176481 202.7
[M+CH3COO]- 361.192131 212.2
[M+Na-2H]- 323.152946 180.8
[M]+ 302.17773142 175.5
[M]- 302.17882858 175.5
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.