CID 45272

Tl 1160

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₄

SMILES

CN(C)CC1=CC(=C(C=C1)OC(=O)N(C)C)OC(=O)N(C)C

InChI

InChI=1S/C15H23N3O4/c1-16(2)10-11-7-8-12(21-14(19)17(3)4)13(9-11)22-15(20)18(5)6/h7-9H,10H2,1-6H3

InChIKey

SULPCIUNLOSLTC-UHFFFAOYSA-N

Compound name

[4-[(dimethylamino)methyl]-2-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.16885 Da
Monoisotopic Mass: 1.3
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]+	310.176126	173.8
[M+Na]+	332.158068	178.4
[M-H]-	308.161574	181.5
[M+NH4]+	327.202673	189.8
[M+K]+	348.132008	181.6
[M+H-H2O]+	292.166110	165.4
[M+HCOO]-	354.167051	200.2
[M+CH3COO]-	368.182701	222.7
[M+Na-2H]-	330.143516	173.8
[M]+	309.16830142	180.9
[M]-	309.16939858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.