CID 10198177

171887-03-9

Structural Information

Molecular Formula
C5H4Cl2N4O
SMILES
C(=O)NC1=C(N=C(N=C1Cl)N)Cl
InChI
InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)
InChIKey
XYWHZUCZNRMJGO-UHFFFAOYSA-N
Compound name
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

205.97621 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98349 137.6
[M+Na]+ 228.96543 148.9
[M-H]- 204.96893 138.2
[M+NH4]+ 224.01003 154.8
[M+K]+ 244.93937 143.9
[M+H-H2O]+ 188.97347 131.9
[M+HCOO]- 250.97441 152.7
[M+CH3COO]- 264.99006 187.0
[M+Na-2H]- 226.95088 143.9
[M]+ 205.97566 139.1
[M]- 205.97676 139.1
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