CID 6479438

Schembl6659281

Structural Information

Molecular Formula
C28H50N2O2
SMILES
CCCCCCCCCCCCC/C=C/C=C/C(CCCCCC)ON1C=CC=CN1O
InChI
InChI=1S/C28H50N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-28(24-20-8-6-4-2)32-30-27-23-22-26-29(30)31/h18-19,21-23,25-28,31H,3-17,20,24H2,1-2H3/b19-18+,25-21+
InChIKey
SZJDGOAKRFFEFJ-WDPWCAPESA-N
Compound name
1-hydroxy-2-[(8E,10E)-tetracosa-8,10-dien-7-yl]oxypyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

446.38724 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.39452 222.7
[M+Na]+ 469.37646 221.7
[M-H]- 445.37996 218.3
[M+NH4]+ 464.42106 228.4
[M+K]+ 485.35040 214.5
[M+H-H2O]+ 429.38450 211.8
[M+HCOO]- 491.38544 235.1
[M+CH3COO]- 505.40109 233.8
[M+Na-2H]- 467.36191 217.6
[M]+ 446.38669 228.2
[M]- 446.38779 228.2
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

patents stripe