CID 3023986

Methyl 2-((2-methylundecyl)amino)benzoate

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCCCCCCCCC(C)CNC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-10-13-17(2)16-21-19-15-12-11-14-18(19)20(22)23-3/h11-12,14-15,17,21H,4-10,13,16H2,1-3H3
InChIKey
VZKYFDBPSXYVGY-UHFFFAOYSA-N
Compound name
methyl 2-(2-methylundecylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.258406 184.7
[M+Na]+ 342.240348 187.1
[M-H]- 318.243854 186.6
[M+NH4]+ 337.284953 198.8
[M+K]+ 358.214288 183.9
[M+H-H2O]+ 302.248390 176.6
[M+HCOO]- 364.249331 205.2
[M+CH3COO]- 378.264981 214.6
[M+Na-2H]- 340.225796 184.0
[M]+ 319.25058142 189.0
[M]- 319.25167858 189.0
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.