CID 28699

Formparanate

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₂

SMILES

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

InChI

InChI=1S/C12H17N3O2/c1-9-7-10(17-12(16)13-2)5-6-11(9)14-8-15(3)4/h5-8H,1-4H3,(H,13,16)

InChIKey

NPCUJHYOBSHUJJ-UHFFFAOYSA-N

Compound name

[4-(dimethylaminomethylideneamino)-3-methylphenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 5405
Patents: 235.13208 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]+	236.13936	154.9
[M+Na]+	258.12130	164.7
[M+NH4]+	253.16590	161.8
[M+K]+	274.09524	159.3
[M-H]-	234.12480	158.1
[M+Na-2H]-	256.10675	160.7
[M]+	235.13153	156.8
[M]-	235.13263	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe