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 214.1
[M+Na]+ 448.31860 215.6
[M-H]- 424.32210 217.8
[M+NH4]+ 443.36320 218.4
[M+K]+ 464.29254 214.4
[M+H-H2O]+ 408.32664 199.7
[M+HCOO]- 470.32758 220.0
[M+CH3COO]- 484.34323 235.6
[M+Na-2H]- 446.30405 209.8
[M]+ 425.32883 222.0
[M]- 425.32993 222.0
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.