CID 58011

2-(dimethylamino)ethyl 4-amino-3-butoxybenzoate

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCOC1=C(C=CC(=C1)C(=O)OCCN(C)C)N
InChI
InChI=1S/C15H24N2O3/c1-4-5-9-19-14-11-12(6-7-13(14)16)15(18)20-10-8-17(2)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKey
ULZFMIJWKLHTKV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-amino-3-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 168.4
[M+Na]+ 303.16790 173.3
[M-H]- 279.17140 172.4
[M+NH4]+ 298.21250 184.4
[M+K]+ 319.14184 172.6
[M+H-H2O]+ 263.17594 160.5
[M+HCOO]- 325.17688 192.7
[M+CH3COO]- 339.19253 209.9
[M+Na-2H]- 301.15335 169.4
[M]+ 280.17813 172.8
[M]- 280.17923 172.8
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.