CID 21111

Sch 1300

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCN(CC)CCOC1=C(C=C(C=C1)Cl)C(=O)OC
InChI
InChI=1S/C14H20ClNO3/c1-4-16(5-2)8-9-19-13-7-6-11(15)10-12(13)14(17)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKey
NEJQTHUQLBEWPQ-UHFFFAOYSA-N
Compound name
methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.11316 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12044 164.7
[M+Na]+ 308.10238 171.9
[M-H]- 284.10588 169.5
[M+NH4]+ 303.14698 182.2
[M+K]+ 324.07632 169.7
[M+H-H2O]+ 268.11042 158.6
[M+HCOO]- 330.11136 184.6
[M+CH3COO]- 344.12701 206.1
[M+Na-2H]- 306.08783 166.8
[M]+ 285.11261 172.8
[M]- 285.11371 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

patents stripe