CID 3025398

102612-75-9

Structural Information

Molecular Formula
C16H25NO4
SMILES
CN(C)CC1=C(C(=CC(=C1)CC=C)OC)OC(CCO)O
InChI
InChI=1S/C16H25NO4/c1-5-6-12-9-13(11-17(2)3)16(14(10-12)20-4)21-15(19)7-8-18/h5,9-10,15,18-19H,1,6-8,11H2,2-4H3
InChIKey
BJWVCKOHOCBKTF-UHFFFAOYSA-N
Compound name
1-[2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.17834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 171.2
[M+Na]+ 318.16756 180.4
[M+NH4]+ 313.21216 176.5
[M+K]+ 334.14150 175.7
[M-H]- 294.17106 171.4
[M+Na-2H]- 316.15301 173.8
[M]+ 295.17779 172.2
[M]- 295.17889 172.2
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

patents stripe