CID 51505

73713-48-1

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CC(C)CC(CC(C)C)NCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-13(2)10-18(11-14(3)4)21-12-15(5)23-19(22)16-6-8-17(20)9-7-16/h6-9,13-15,18,21H,10-12,20H2,1-5H3
InChIKey
RTUNRXVTBHWXIR-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylheptan-4-ylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.253646 185.4
[M+Na]+ 343.235588 186.7
[M-H]- 319.239094 187.2
[M+NH4]+ 338.280193 198.6
[M+K]+ 359.209528 185.2
[M+H-H2O]+ 303.243630 177.6
[M+HCOO]- 365.244571 203.6
[M+CH3COO]- 379.260221 218.8
[M+Na-2H]- 341.221036 180.8
[M]+ 320.24582142 185.7
[M]- 320.24691858 185.7
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.