CID 50834

69781-74-4

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCC(CCCC)NC(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-4-6-8-18(9-7-5-2)21-15(3)14-23-19(22)16-10-12-17(20)13-11-16/h10-13,15,18,21H,4-9,14,20H2,1-3H3
InChIKey
RDCLDFKWBAJYMF-UHFFFAOYSA-N
Compound name
2-(nonan-5-ylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 184.8
[M+Na]+ 343.23559 186.5
[M-H]- 319.23909 186.4
[M+NH4]+ 338.28019 198.1
[M+K]+ 359.20953 183.9
[M+H-H2O]+ 303.24363 176.5
[M+HCOO]- 365.24457 205.0
[M+CH3COO]- 379.26022 216.9
[M+Na-2H]- 341.22104 182.6
[M]+ 320.24582 186.3
[M]- 320.24692 186.3
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.