CID 99040

Sp 1 (pharmaceutical)

Structural Information

Molecular Formula
C26H37NO2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CCN(C3)CC#C)C(OC2=C1)(C)C)O
InChI
InChI=1S/C26H37NO2/c1-7-9-10-11-18(3)19(4)20-15-23(28)25-21-17-27(13-8-2)14-12-22(21)26(5,6)29-24(25)16-20/h2,15-16,18-19,28H,7,9-14,17H2,1,3-6H3
InChIKey
PNEYWTKVWJBOMD-UHFFFAOYSA-N
Compound name
5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

395.28244 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28972 198.9
[M+Na]+ 418.27166 210.3
[M+NH4]+ 413.31626 203.6
[M+K]+ 434.24560 198.0
[M-H]- 394.27516 193.8
[M+Na-2H]- 416.25711 197.9
[M]+ 395.28189 198.5
[M]- 395.28299 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe