CID 59565

Win 2595

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C14H22N2O3/c1-4-16(5-2)8-9-19-14(17)12-7-6-11(15)10-13(12)18-3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKey
ROSATCHEBXNJDQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-amino-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 163.7
[M+Na]+ 289.15228 169.1
[M-H]- 265.15578 168.0
[M+NH4]+ 284.19688 180.3
[M+K]+ 305.12622 168.6
[M+H-H2O]+ 249.16032 156.1
[M+HCOO]- 311.16126 188.4
[M+CH3COO]- 325.17691 206.9
[M+Na-2H]- 287.13773 165.3
[M]+ 266.16251 167.8
[M]- 266.16361 167.8
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