CID 3045012

Brn 1183007

Structural Information

Molecular Formula
C28H41NO3
SMILES
CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC=C)C(O2)(C)C)C(=C1)OC(=O)C
InChI
InChI=1S/C28H41NO3/c1-8-10-11-12-19(3)20(4)22-16-25(31-21(5)30)27-23-18-29(14-9-2)15-13-24(23)28(6,7)32-26(27)17-22/h9,16-17,19-20H,2,8,10-15,18H2,1,3-7H3
InChIKey
CWNUMNCFXZZXKT-UHFFFAOYSA-N
Compound name
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-enyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.30865 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.31593 214.0
[M+Na]+ 462.29787 224.8
[M+NH4]+ 457.34247 221.3
[M+K]+ 478.27181 215.5
[M-H]- 438.30137 216.6
[M+Na-2H]- 460.28332 214.9
[M]+ 439.30810 216.4
[M]- 439.30920 216.4
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.