CID 6436597

25351-57-9

Structural Information

Molecular Formula
C21H22N2
SMILES
C1=CC=C(C=C1)/C=C/C=NCCCN=C/C=C/C2=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/b14-7+,15-8+,22-16?,23-17?
InChIKey
HDFJFEQZDSFGBX-XQIKEREUSA-N
Compound name
(E)-3-phenyl-N-[3-[[(E)-3-phenylprop-2-enylidene]amino]propyl]prop-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]+ 303.18556 174.9
[M+Na]+ 325.16750 179.0
[M-H]- 301.17100 182.6
[M+NH4]+ 320.21210 190.1
[M+K]+ 341.14144 172.6
[M+H-H2O]+ 285.17554 165.1
[M+HCOO]- 347.17648 202.7
[M+CH3COO]- 361.19213 212.2
[M+Na-2H]- 323.15295 180.8
[M]+ 302.17773 175.5
[M]- 302.17883 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.