CID 40213

52073-24-2

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]+ 308.22203 176.6
[M+Na]+ 330.20397 182.0
[M-H]- 306.20747 181.2
[M+NH4]+ 325.24857 192.5
[M+K]+ 346.17791 181.4
[M+H-H2O]+ 290.21201 169.2
[M+HCOO]- 352.21295 198.6
[M+CH3COO]- 366.22860 216.5
[M+Na-2H]- 328.18942 175.1
[M]+ 307.21420 183.8
[M]- 307.21530 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.