CID 3045014

58019-94-6

Structural Information

Molecular Formula
C27H39NO2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CCN(C3)CC#CC)C(OC2=C1)(C)C)O
InChI
InChI=1S/C27H39NO2/c1-7-9-11-12-19(3)20(4)21-16-24(29)26-22-18-28(14-10-8-2)15-13-23(22)27(5,6)30-25(26)17-21/h16-17,19-20,29H,7,9,11-15,18H2,1-6H3
InChIKey
NXWLLBREZGACBF-UHFFFAOYSA-N
Compound name
2-but-2-ynyl-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

409.29807 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.30535 203.2
[M+Na]+ 432.28729 210.9
[M-H]- 408.29079 203.0
[M+NH4]+ 427.33189 213.7
[M+K]+ 448.26123 202.0
[M+H-H2O]+ 392.29533 189.4
[M+HCOO]- 454.29627 207.2
[M+CH3COO]- 468.31192 233.3
[M+Na-2H]- 430.27274 200.2
[M]+ 409.29752 199.1
[M]- 409.29862 199.1
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.