CID 3033052

Brn 2757169

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCOC(=O)C1=C(C=CC(=C1OCC(CN(C)C)O)C(C)C)C
InChI
InChI=1S/C18H29NO4/c1-7-22-18(21)16-13(4)8-9-15(12(2)3)17(16)23-11-14(20)10-19(5)6/h8-9,12,14,20H,7,10-11H2,1-6H3
InChIKey
SNFZSVZRZFZVIV-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 179.8
[M+Na]+ 346.198878 184.3
[M-H]- 322.202384 183.0
[M+NH4]+ 341.243483 194.1
[M+K]+ 362.172818 184.1
[M+H-H2O]+ 306.206920 172.6
[M+HCOO]- 368.207861 199.4
[M+CH3COO]- 382.223511 217.0
[M+Na-2H]- 344.184326 176.6
[M]+ 323.20911142 185.9
[M]- 323.21020858 185.9
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.