CID 211065

22168-82-7

Structural Information

Molecular Formula
C26H39NO3
SMILES
CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)C)C(O2)(C)C)C(=C1)OC(=O)C
InChI
InChI=1S/C26H39NO3/c1-8-9-10-11-17(2)18(3)20-14-23(29-19(4)28)25-21-16-27(7)13-12-22(21)26(5,6)30-24(25)15-20/h14-15,17-18H,8-13,16H2,1-7H3
InChIKey
SXIKWTUYFPIIKO-UHFFFAOYSA-N
Compound name
[2,5,5-trimethyl-8-(3-methyloctan-2-yl)-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

413.293 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.30028 207.0
[M+Na]+ 436.28222 211.5
[M-H]- 412.28572 210.0
[M+NH4]+ 431.32682 219.2
[M+K]+ 452.25616 208.8
[M+H-H2O]+ 396.29026 198.4
[M+HCOO]- 458.29120 216.1
[M+CH3COO]- 472.30685 233.8
[M+Na-2H]- 434.26767 204.3
[M]+ 413.29245 210.8
[M]- 413.29355 210.8
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.