CID 13989892

116477-30-6

Structural Information

Molecular Formula

C₆H₄Cl₂N₄O₂

SMILES

C(=O)NC1=C(N=C(N=C1Cl)NC=O)Cl

InChI

InChI=1S/C6H4Cl2N4O2/c7-4-3(9-1-13)5(8)12-6(11-4)10-2-14/h1-2H,(H,9,13)(H,10,11,12,14)

InChIKey

SJUZRTBKERGCTK-UHFFFAOYSA-N

Compound name

N-(4,6-dichloro-2-formamidopyrimidin-5-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 233.97113 Da
Monoisotopic Mass: 0.8
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]+	234.97841	142.5
[M+Na]+	256.96035	155.5
[M+NH4]+	252.00495	149.0
[M+K]+	272.93429	149.4
[M-H]-	232.96385	143.2
[M+Na-2H]-	254.94580	148.6
[M]+	233.97058	144.8
[M]-	233.97168	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe