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]+ 271.120776 163.0
[M+Na]+ 293.102718 169.7
[M-H]- 269.106224 167.3
[M+NH4]+ 288.147323 180.4
[M+K]+ 309.076658 166.8
[M+H-H2O]+ 253.110760 156.7
[M+HCOO]- 315.111701 183.3
[M+CH3COO]- 329.127351 205.4
[M+Na-2H]- 291.088166 164.6
[M]+ 270.11295142 167.4
[M]- 270.11404858 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.