CID 58021

100811-81-2

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKey
YVULPTRVRVTWAA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-amino-4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 163.0
[M+Na]+ 293.10272 169.7
[M-H]- 269.10622 167.3
[M+NH4]+ 288.14732 180.4
[M+K]+ 309.07666 166.8
[M+H-H2O]+ 253.11076 156.7
[M+HCOO]- 315.11170 183.3
[M+CH3COO]- 329.12735 205.4
[M+Na-2H]- 291.08817 164.6
[M]+ 270.11295 167.4
[M]- 270.11405 167.4
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.