CID 54168

78329-78-9

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCN(CC)CCCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O2/c1-4-18(5-2)12-6-7-13(3)20-16(19)14-8-10-15(17)11-9-14/h8-11,13H,4-7,12,17H2,1-3H3
InChIKey
WOMLUWFEGZNNQJ-UHFFFAOYSA-N
Compound name
5-(diethylamino)pentan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 171.0
[M+Na]+ 301.18865 174.5
[M-H]- 277.19215 174.6
[M+NH4]+ 296.23325 186.8
[M+K]+ 317.16259 173.4
[M+H-H2O]+ 261.19669 163.1
[M+HCOO]- 323.19763 193.8
[M+CH3COO]- 337.21328 210.5
[M+Na-2H]- 299.17410 170.9
[M]+ 278.19888 173.3
[M]- 278.19998 173.3
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.