CID 71630

Hydroxytetracaine

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₃

SMILES

CCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)O

InChI

InChI=1S/C15H24N2O3/c1-4-5-8-16-12-6-7-13(14(18)11-12)15(19)20-10-9-17(2)3/h6-7,11,16,18H,4-5,8-10H2,1-3H3

InChIKey

DHCUQNSUUYMFGX-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 4-(butylamino)-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2391
Patents: 280.17868 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.18596	168.1
[M+Na]+	303.16790	172.6
[M-H]-	279.17140	171.3
[M+NH4]+	298.21250	183.7
[M+K]+	319.14184	171.4
[M+H-H2O]+	263.17594	160.5
[M+HCOO]-	325.17688	191.5
[M+CH3COO]-	339.19253	208.0
[M+Na-2H]-	301.15335	169.8
[M]+	280.17813	171.7
[M]-	280.17923	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe