CID 73554181

2-chloro-7,8-dihydro-6h-pyrimido[5,4-b][1,4]oxazine

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
C1COC2=CN=C(N=C2N1)Cl
InChI
InChI=1S/C6H6ClN3O/c7-6-9-3-4-5(10-6)8-1-2-11-4/h3H,1-2H2,(H,8,9,10)
InChIKey
GYQORXHFUXETMQ-UHFFFAOYSA-N
Compound name
2-chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

171.01994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.027216 131.0
[M+Na]+ 194.009158 140.4
[M-H]- 170.012664 130.2
[M+NH4]+ 189.053763 147.1
[M+K]+ 209.983098 137.3
[M+H-H2O]+ 154.017200 123.6
[M+HCOO]- 216.018141 142.6
[M+CH3COO]- 230.033791 143.2
[M+Na-2H]- 191.994606 140.9
[M]+ 171.01939142 129.6
[M]- 171.02048858 129.6
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