CID 3076056

(+-)-3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7-pentyl-2h-1-benzopyran-5-ol

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCCC1=CC(=C2C(=NCC(C)O)CC(OC2=C1)(C)C)O
InChI
InChI=1S/C19H29NO3/c1-5-6-7-8-14-9-16(22)18-15(20-12-13(2)21)11-19(3,4)23-17(18)10-14/h9-10,13,21-22H,5-8,11-12H2,1-4H3
InChIKey
OKURTQCJMLLIAG-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropylimino)-2,2-dimethyl-7-pentyl-3H-chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

319.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 178.9
[M+Na]+ 342.20397 189.4
[M+NH4]+ 337.24857 187.1
[M+K]+ 358.17791 181.2
[M-H]- 318.20747 182.0
[M+Na-2H]- 340.18942 182.3
[M]+ 319.21420 181.3
[M]- 319.21530 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe