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 193.4
[M+Na]+ 380.25600 197.6
[M-H]- 356.25950 193.8
[M+NH4]+ 375.30060 206.5
[M+K]+ 396.22994 193.2
[M+H-H2O]+ 340.26404 185.5
[M+HCOO]- 402.26498 201.2
[M+CH3COO]- 416.28063 217.3
[M+Na-2H]- 378.24145 192.9
[M]+ 357.26623 192.1
[M]- 357.26733 192.1
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

patents stripe