CID 45320

63917-77-1

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CN(C)CCOCCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H22N2O3/c1-16(2)8-11-18-9-3-10-19-14(17)12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3
InChIKey
OAIXNMHLYQAFPH-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxy]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 163.9
[M+Na]+ 289.152278 168.4
[M-H]- 265.155784 167.8
[M+NH4]+ 284.196883 180.2
[M+K]+ 305.126218 167.8
[M+H-H2O]+ 249.160320 156.0
[M+HCOO]- 311.161261 188.6
[M+CH3COO]- 325.176911 205.7
[M+Na-2H]- 287.137726 166.2
[M]+ 266.16251142 167.6
[M]- 266.16360858 167.6
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