CID 40734

Brn 2384294

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCN(CC)CCOC1=C(C=CC(=C1C(=O)O)C)C(C)C
InChI
InChI=1S/C17H27NO3/c1-6-18(7-2)10-11-21-16-14(12(3)4)9-8-13(5)15(16)17(19)20/h8-9,12H,6-7,10-11H2,1-5H3,(H,19,20)
InChIKey
BSHLEKSMWWVWPI-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 172.3
[M+Na]+ 316.188318 177.5
[M-H]- 292.191824 175.6
[M+NH4]+ 311.232923 187.9
[M+K]+ 332.162258 176.3
[M+H-H2O]+ 276.196360 165.3
[M+HCOO]- 338.197301 193.0
[M+CH3COO]- 352.212951 211.7
[M+Na-2H]- 314.173766 170.7
[M]+ 293.19855142 177.3
[M]- 293.19964858 177.3
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.