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 214.5
[M+Na]+ 462.29787 218.3
[M-H]- 438.30137 217.0
[M+NH4]+ 457.34247 225.5
[M+K]+ 478.27181 214.6
[M+H-H2O]+ 422.30591 205.6
[M+HCOO]- 484.30685 223.1
[M+CH3COO]- 498.32250 238.9
[M+Na-2H]- 460.28332 210.8
[M]+ 439.30810 218.2
[M]- 439.30920 218.2
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.