CID 118055064

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

Structural Information

Molecular Formula
C7H8ClN3O
SMILES
CC1COC2=CN=C(N=C2N1)Cl
InChI
InChI=1S/C7H8ClN3O/c1-4-3-12-5-2-9-7(8)11-6(5)10-4/h2,4H,3H2,1H3,(H,9,10,11)
InChIKey
JCPATFLQECGHGN-UHFFFAOYSA-N
Compound name
2-chloro-7-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.03558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04286 136.3
[M+Na]+ 208.02480 146.3
[M-H]- 184.02830 135.8
[M+NH4]+ 203.06940 152.2
[M+K]+ 223.99874 142.8
[M+H-H2O]+ 168.03284 129.0
[M+HCOO]- 230.03378 147.5
[M+CH3COO]- 244.04943 148.4
[M+Na-2H]- 206.01025 144.9
[M]+ 185.03503 135.7
[M]- 185.03613 135.7
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