CID 31486

22684-78-2

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCCNCCOC(=O)C1=C(C(=CC=C1)OC)OCCCC
InChI
InChI=1S/C18H29NO4/c1-4-6-11-19-12-14-23-18(20)15-9-8-10-16(21-3)17(15)22-13-7-5-2/h8-10,19H,4-7,11-14H2,1-3H3
InChIKey
GUKYZZSKXIILLI-UHFFFAOYSA-N
Compound name
2-(butylamino)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 180.1
[M+Na]+ 346.198878 184.4
[M-H]- 322.202384 182.7
[M+NH4]+ 341.243483 194.3
[M+K]+ 362.172818 182.4
[M+H-H2O]+ 306.206920 172.0
[M+HCOO]- 368.207861 202.7
[M+CH3COO]- 382.223511 213.0
[M+Na-2H]- 344.184326 181.2
[M]+ 323.20911142 187.6
[M]- 323.21020858 187.6
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.