CID 40213

Brn 2747882

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CCOC1=C(C=CC(=C1C(=O)OC)C)C(C)C
InChI
InChI=1S/C18H29NO3/c1-7-19(8-2)11-12-22-17-15(13(3)4)10-9-14(5)16(17)18(20)21-6/h9-10,13H,7-8,11-12H2,1-6H3
InChIKey
BNWQPZXARAASNP-UHFFFAOYSA-N
Compound name
methyl 2-[2-(diethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 176.6
[M+Na]+ 330.203968 182.0
[M-H]- 306.207474 181.2
[M+NH4]+ 325.248573 192.5
[M+K]+ 346.177908 181.4
[M+H-H2O]+ 290.212010 169.2
[M+HCOO]- 352.212951 198.6
[M+CH3COO]- 366.228601 216.5
[M+Na-2H]- 328.189416 175.1
[M]+ 307.21420142 183.8
[M]- 307.21529858 183.8
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.