CID 213543

26685-53-0

Structural Information

Molecular Formula
C23H35NO2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CCNC3)C(OC2=C1)(C)C)O
InChI
InChI=1S/C23H35NO2/c1-6-7-8-9-15(2)16(3)17-12-20(25)22-18-14-24-11-10-19(18)23(4,5)26-21(22)13-17/h12-13,15-16,24-25H,6-11,14H2,1-5H3
InChIKey
BEJUUNOSKFATNL-UHFFFAOYSA-N
Compound name
5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

357.26678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27406 192.9
[M+Na]+ 380.25600 204.2
[M+NH4]+ 375.30060 201.7
[M+K]+ 396.22994 195.1
[M-H]- 356.25950 195.9
[M+Na-2H]- 378.24145 195.0
[M]+ 357.26623 195.5
[M]- 357.26733 195.5
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

patents stripe