CID 3080370

1-amino-5-chlorouracil

Structural Information

Molecular Formula

C₄H₄ClN₃O₂

SMILES

C1=C(C(=O)NC(=O)N1N)Cl

InChI

InChI=1S/C4H4ClN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10)

InChIKey

VPEVWYUURRZOBN-UHFFFAOYSA-N

Compound name

1-amino-5-chloropyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 160.9992 Da
Monoisotopic Mass: -0.7
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]+	162.00648	125.4
[M+Na]+	183.98842	137.7
[M-H]-	159.99192	125.8
[M+NH4]+	179.03302	143.8
[M+K]+	199.96236	133.3
[M+H-H2O]+	143.99646	120.0
[M+HCOO]-	205.99740	144.0
[M+CH3COO]-	220.01305	173.1
[M+Na-2H]-	181.97387	132.3
[M]+	160.99865	125.3
[M]-	160.99975	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe