CID 68648

Leucinocaine

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCN(CC)C(CC(C)C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-5-19(6-2)16(11-13(3)4)12-21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,5-6,11-12,18H2,1-4H3
InChIKey
MLHBDHJHNDJBLI-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-4-methylpentyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

2203
Patents

292.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 175.9
[M+Na]+ 315.204318 178.7
[M-H]- 291.207824 179.4
[M+NH4]+ 310.248923 191.1
[M+K]+ 331.178258 177.9
[M+H-H2O]+ 275.212360 168.0
[M+HCOO]- 337.213301 197.3
[M+CH3COO]- 351.228951 214.4
[M+Na-2H]- 313.189766 174.1
[M]+ 292.21455142 178.0
[M]- 292.21564858 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe