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 181.2
[M+Na]+ 344.19848 184.7
[M-H]- 320.20198 187.3
[M+NH4]+ 339.24308 195.4
[M+K]+ 360.17242 178.6
[M+H-H2O]+ 304.20652 171.7
[M+HCOO]- 366.20746 204.7
[M+CH3COO]- 380.22311 213.3
[M+Na-2H]- 342.18393 183.9
[M]+ 321.20871 182.2
[M]- 321.20981 182.2
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.