CID 6433740

Brn 2817690

Structural Information

Molecular Formula
C22H27NO
SMILES
C=CC/C=C/C=NCCCC1CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C22H27NO/c1-2-3-4-8-17-23-18-9-10-20-13-15-21(16-14-20)19-24-22-11-6-5-7-12-22/h2,4-8,11-13,15-17,20H,1,3,9-10,14,18-19H2/b8-4+,23-17?
InChIKey
ACVZGCOBHFNADO-AOMBOZEISA-N
Compound name
(2E)-N-[3-[4-(phenoxymethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-2,5-dien-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 183.3
[M+Na]+ 344.19848 196.0
[M+NH4]+ 339.24308 191.0
[M+K]+ 360.17242 185.0
[M-H]- 320.20198 188.4
[M+Na-2H]- 342.18393 191.2
[M]+ 321.20871 186.5
[M]- 321.20981 186.5
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.