CID 49119

Dimethylcarbamic acid 2-guanidinophenyl ester nitrate

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1N=C(N)N

InChI

InChI=1S/C10H14N4O2/c1-14(2)10(15)16-8-6-4-3-5-7(8)13-9(11)12/h3-6H,1-2H3,(H4,11,12,13)

InChIKey

QMHWBKAMCHEPSB-UHFFFAOYSA-N

Compound name

[2-(diaminomethylideneamino)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.11168 Da
Monoisotopic Mass: 0.0
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]+	223.118956	150.0
[M+Na]+	245.100898	155.1
[M-H]-	221.104404	155.6
[M+NH4]+	240.145503	167.7
[M+K]+	261.074838	155.6
[M+H-H2O]+	205.108940	142.0
[M+HCOO]-	267.109881	177.8
[M+CH3COO]-	281.125531	202.6
[M+Na-2H]-	243.086346	153.1
[M]+	222.11113142	148.6
[M]-	222.11222858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.