CID 5191

137196-67-9

Structural Information

Molecular Formula
C14H21ClN2O3
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C=C1OC)N)Cl
InChI
InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
InChIKey
FFNWMBDISAYHDC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

58
References

98
Patents

300.12408 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13136 168.6
[M+Na]+ 323.11330 179.1
[M+NH4]+ 318.15790 175.1
[M+K]+ 339.08724 173.4
[M-H]- 299.11680 170.6
[M+Na-2H]- 321.09875 172.7
[M]+ 300.12353 170.7
[M]- 300.12463 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe