CID 25069

Methylformamido zectran

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃

SMILES

CC1=CC(=CC(=C1N(C)C=O)C)OC(=O)NC

InChI

InChI=1S/C12H16N2O3/c1-8-5-10(17-12(16)13-3)6-9(2)11(8)14(4)7-15/h5-7H,1-4H3,(H,13,16)

InChIKey

YZLKSROUDATCQE-UHFFFAOYSA-N

Compound name

[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 236.11609 Da
Monoisotopic Mass: 1.8
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]+	237.123366	152.1
[M+Na]+	259.105308	159.8
[M-H]-	235.108814	157.8
[M+NH4]+	254.149913	170.6
[M+K]+	275.079248	159.5
[M+H-H2O]+	219.113350	145.3
[M+HCOO]-	281.114291	178.3
[M+CH3COO]-	295.129941	201.2
[M+Na-2H]-	257.090756	155.3
[M]+	236.11554142	156.2
[M]-	236.11663858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.