CID 213544

Brn 1229621

Structural Information

Molecular Formula
C28H43NO2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CCN(C3)CC4CCC4)C(OC2=C1)(C)C)O
InChI
InChI=1S/C28H43NO2/c1-6-7-8-10-19(2)20(3)22-15-25(30)27-23-18-29(17-21-11-9-12-21)14-13-24(23)28(4,5)31-26(27)16-22/h15-16,19-21,30H,6-14,17-18H2,1-5H3
InChIKey
PTPPLPQQZXLCHG-UHFFFAOYSA-N
Compound name
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.32938 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.33666 212.6
[M+Na]+ 448.31860 219.3
[M+NH4]+ 443.36320 217.3
[M+K]+ 464.29254 211.3
[M-H]- 424.32210 214.6
[M+Na-2H]- 446.30405 212.2
[M]+ 425.32883 213.2
[M]- 425.32993 213.2
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.