CID 45698

63956-96-7

Structural Information

Molecular Formula
C19H29NO5
SMILES
CC1CC2=C(O1)C(=C3C(=C(CCO3)O)C2)OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H29NO5/c1-11-7-12-8-14-15(22)5-6-23-17(14)18(16(12)25-11)24-10-13(21)9-20-19(2,3)4/h11,13,20-22H,5-10H2,1-4H3
InChIKey
FNZSENKPMLMPDI-UHFFFAOYSA-N
Compound name
9-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-3,4,6,7-tetrahydro-2H-furo[3,2-g]chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.20456 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 185.1
[M+Na]+ 374.19378 189.4
[M-H]- 350.19728 188.3
[M+NH4]+ 369.23838 198.1
[M+K]+ 390.16772 188.7
[M+H-H2O]+ 334.20182 179.9
[M+HCOO]- 396.20276 196.6
[M+CH3COO]- 410.21841 214.3
[M+Na-2H]- 372.17923 187.6
[M]+ 351.20401 187.1
[M]- 351.20511 187.1
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

No patent data available for this compound.