CID 71885

Nonabine

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C=C2C3=CC=NC=C3)(C)C)O
InChI
InChI=1S/C25H33NO2/c1-6-7-8-9-17(2)18(3)20-14-22(27)24-21(19-10-12-26-13-11-19)16-25(4,5)28-23(24)15-20/h10-18,27H,6-9H2,1-5H3
InChIKey
YHUDSHIRWOVVCV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

92
Patents

379.25113 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 198.4
[M+Na]+ 402.24035 204.2
[M-H]- 378.24385 203.2
[M+NH4]+ 397.28495 210.1
[M+K]+ 418.21429 200.0
[M+H-H2O]+ 362.24839 189.0
[M+HCOO]- 424.24933 211.8
[M+CH3COO]- 438.26498 222.9
[M+Na-2H]- 400.22580 198.6
[M]+ 379.25058 201.2
[M]- 379.25168 201.2
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.