CID 217822

2-(diethylamino)ethyl 4-amino-3,5-dimethylbenzoate

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C(=C1)C)N)C
InChI
InChI=1S/C15H24N2O2/c1-5-17(6-2)7-8-19-15(18)13-9-11(3)14(16)12(4)10-13/h9-10H,5-8,16H2,1-4H3
InChIKey
BDYFLBSTOUWXCP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-amino-3,5-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.2
[M+Na]+ 287.17300 171.3
[M-H]- 263.17650 169.7
[M+NH4]+ 282.21760 182.3
[M+K]+ 303.14694 169.9
[M+H-H2O]+ 247.18104 157.9
[M+HCOO]- 309.18198 189.3
[M+CH3COO]- 323.19763 209.0
[M+Na-2H]- 285.15845 165.5
[M]+ 264.18323 168.6
[M]- 264.18433 168.6
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.