PubChemLite - Oxethazaine (C28H41N3O3)

Structural Information

Molecular Formula

SMILES

CC(C)(CC1=CC=CC=C1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3

InChIKey

FTLDJPRFCGDUFH-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

Related CIDs

2D Structure

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]+	468.32208	217.7
[M+Na]+	490.30402	223.9
[M+NH4]+	485.34862	221.6
[M+K]+	506.27796	219.9
[M-H]-	466.30752	220.5
[M+Na-2H]-	488.28947	222.8
[M]+	467.31425	219.1
[M]-	467.31535	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.32208

217.7

[M+Na]+

490.30402

223.9

[M+NH4]+

485.34862

221.6

[M+K]+

506.27796

219.9

[M-H]-

466.30752

220.5

[M+Na-2H]-

488.28947

222.8

[M]+

467.31425

219.1

[M]-

467.31535

219.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Oxethazaine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe