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 179.1
[M+Na]+ 342.20397 184.9
[M-H]- 318.20747 182.3
[M+NH4]+ 337.24857 194.9
[M+K]+ 358.17791 182.4
[M+H-H2O]+ 302.21201 172.7
[M+HCOO]- 364.21295 195.5
[M+CH3COO]- 378.22860 212.0
[M+Na-2H]- 340.18942 181.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.