CID 13989892

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

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

63
Patents

233.97113 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97841 143.0
[M+Na]+ 256.96035 154.0
[M-H]- 232.96385 144.0
[M+NH4]+ 252.00495 159.2
[M+K]+ 272.93429 149.1
[M+H-H2O]+ 216.96839 136.9
[M+HCOO]- 278.96933 158.8
[M+CH3COO]- 292.98498 191.8
[M+Na-2H]- 254.94580 149.9
[M]+ 233.97058 146.6
[M]- 233.97168 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe