CID 31484

22684-77-1

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCCN(CC)CC
InChI
InChI=1S/C18H29NO4/c1-5-8-13-22-17-15(10-9-11-16(17)21-4)18(20)23-14-12-19(6-2)7-3/h9-11H,5-8,12-14H2,1-4H3
InChIKey
AFZPMFFKUZAFPS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 180.4
[M+Na]+ 346.198878 184.8
[M-H]- 322.202384 184.4
[M+NH4]+ 341.243483 195.2
[M+K]+ 362.172818 184.3
[M+H-H2O]+ 306.206920 172.2
[M+HCOO]- 368.207861 203.5
[M+CH3COO]- 382.223511 216.4
[M+Na-2H]- 344.184326 180.7
[M]+ 323.20911142 189.2
[M]- 323.21020858 189.2
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

No patent data available for this compound.