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

7
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

patents stripe