CID 28635

P-aminobenzoic acid 4-(diethylamino)butyl ester hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCN(CC)CCCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O2/c1-3-17(4-2)11-5-6-12-19-15(18)13-7-9-14(16)10-8-13/h7-10H,3-6,11-12,16H2,1-2H3
InChIKey
IBJYZXDYIUVKFS-UHFFFAOYSA-N
Compound name
4-(diethylamino)butyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 165.8
[M+Na]+ 287.17300 170.0
[M-H]- 263.17650 169.5
[M+NH4]+ 282.21760 182.3
[M+K]+ 303.14694 168.6
[M+H-H2O]+ 247.18104 158.0
[M+HCOO]- 309.18198 189.9
[M+CH3COO]- 323.19763 206.6
[M+Na-2H]- 285.15845 167.5
[M]+ 264.18323 168.4
[M]- 264.18433 168.4
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.