CID 52253

73713-49-2

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCC(C)(CC(C)C)NC(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-6-11-19(5,12-14(2)3)21-15(4)13-23-18(22)16-7-9-17(20)10-8-16/h7-10,14-15,21H,6,11-13,20H2,1-5H3
InChIKey
AXIODGJANBFJNW-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylheptan-4-ylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 183.7
[M+Na]+ 343.23559 185.8
[M-H]- 319.23909 185.6
[M+NH4]+ 338.28019 197.1
[M+K]+ 359.20953 183.8
[M+H-H2O]+ 303.24363 176.2
[M+HCOO]- 365.24457 202.3
[M+CH3COO]- 379.26022 217.4
[M+Na-2H]- 341.22104 182.5
[M]+ 320.24582 184.7
[M]- 320.24692 184.7
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.