CID 135408693

2-amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C4H3ClN4O3
SMILES
C1(=C(N=C(NC1=O)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C4H3ClN4O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H3,6,7,8,10)
InChIKey
UTTPUMOOQSNOHH-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-5-nitro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

189.98936 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99664 130.4
[M+Na]+ 212.97858 140.7
[M-H]- 188.98208 130.6
[M+NH4]+ 208.02318 146.5
[M+K]+ 228.95252 132.8
[M+H-H2O]+ 172.98662 129.4
[M+HCOO]- 234.98756 149.8
[M+CH3COO]- 249.00321 172.7
[M+Na-2H]- 210.96403 138.9
[M]+ 189.98881 128.3
[M]- 189.98991 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe