CID 10450597

Ferulinolol

Structural Information

Molecular Formula
C19H29NO5
SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)OC
InChI
InChI=1S/C19H29NO5/c1-6-24-18(22)10-8-14-7-9-16(17(11-14)23-5)25-13-15(21)12-20-19(2,3)4/h7-11,15,20-21H,6,12-13H2,1-5H3/b10-8+
InChIKey
BFSRQGYQQYHQBX-CSKARUKUSA-N
Compound name
ethyl (E)-3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxyphenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.20456 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 186.5
[M+Na]+ 374.19378 190.3
[M-H]- 350.19728 187.9
[M+NH4]+ 369.23838 198.8
[M+K]+ 390.16772 188.5
[M+H-H2O]+ 334.20182 179.3
[M+HCOO]- 396.20276 205.1
[M+CH3COO]- 410.21841 214.9
[M+Na-2H]- 372.17923 186.5
[M]+ 351.20401 191.9
[M]- 351.20511 191.9
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

No patent data available for this compound.