CID 5493359

Brn 0625033

Structural Information

Molecular Formula
C21H29NO3
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CNCC3)C(=O)OC2=C1)O
InChI
InChI=1S/C21H29NO3/c1-4-5-6-7-13(2)14(3)15-10-18(23)20-16-8-9-22-12-17(16)21(24)25-19(20)11-15/h10-11,13-14,22-23H,4-9,12H2,1-3H3
InChIKey
AGQMVMUGHIOKCY-UHFFFAOYSA-N
Compound name
10-hydroxy-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.0
[M+Na]+ 366.20397 197.1
[M+NH4]+ 361.24857 191.9
[M+K]+ 382.17791 190.5
[M-H]- 342.20747 187.6
[M+Na-2H]- 364.18942 186.5
[M]+ 343.21420 187.4
[M]- 343.21530 187.4
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.