CID 25070

Formamido zectran

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

CC1=CC(=CC(=C1NC=O)C)OC(=O)NC

InChI

InChI=1S/C11H14N2O3/c1-7-4-9(16-11(15)12-3)5-8(2)10(7)13-6-14/h4-6H,1-3H3,(H,12,15)(H,13,14)

InChIKey

JIYAGTDSFMORMI-UHFFFAOYSA-N

Compound name

(4-formamido-3,5-dimethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.10045 Da
Monoisotopic Mass: 1.6
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]+	223.107726	147.8
[M+Na]+	245.089668	155.7
[M-H]-	221.093174	152.2
[M+NH4]+	240.134273	166.2
[M+K]+	261.063608	154.2
[M+H-H2O]+	205.097710	141.3
[M+HCOO]-	267.098651	173.8
[M+CH3COO]-	281.114301	194.8
[M+Na-2H]-	243.075116	152.2
[M]+	222.09990142	150.2
[M]-	222.10099858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe