CID 213543

Brn 1225177

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.274056	193.4
[M+Na]+	380.255998	197.6
[M-H]-	356.259504	193.8
[M+NH4]+	375.300603	206.5
[M+K]+	396.229938	193.2
[M+H-H2O]+	340.264040	185.5
[M+HCOO]-	402.264981	201.2
[M+CH3COO]-	416.280631	217.3
[M+Na-2H]-	378.241446	192.9
[M]+	357.26623142	192.1
[M]-	357.26732858	192.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe