CID 27098

15154-38-8

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCN(CCCC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-3-5-11-19(12-6-4-2)13-14-21-17(20)15-7-9-16(18)10-8-15/h7-10H,3-6,11-14,18H2,1-2H3
InChIKey
JQRLPHKPCFMGAM-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 175.0
[M+Na]+ 315.204318 178.3
[M-H]- 291.207824 178.3
[M+NH4]+ 310.248923 190.2
[M+K]+ 331.178258 176.3
[M+H-H2O]+ 275.212360 166.7
[M+HCOO]- 337.213301 198.4
[M+CH3COO]- 351.228951 212.6
[M+Na-2H]- 313.189766 175.6
[M]+ 292.21455142 178.3
[M]- 292.21564858 178.3
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.