CID 45319

63917-76-0

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCN(CC)CCOCCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O3/c1-3-18(4-2)10-13-20-11-5-12-21-16(19)14-6-8-15(17)9-7-14/h6-9H,3-5,10-13,17H2,1-2H3
InChIKey
PZABEXWNZYLYEY-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethoxy]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.201616 173.1
[M+Na]+ 317.183558 176.7
[M-H]- 293.187064 176.6
[M+NH4]+ 312.228163 188.2
[M+K]+ 333.157498 175.6
[M+H-H2O]+ 277.191600 164.8
[M+HCOO]- 339.192541 197.1
[M+CH3COO]- 353.208191 211.6
[M+Na-2H]- 315.169006 174.4
[M]+ 294.19379142 177.5
[M]- 294.19488858 177.5
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.