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]+ 186.042856 136.3
[M+Na]+ 208.024798 146.3
[M-H]- 184.028304 135.8
[M+NH4]+ 203.069403 152.2
[M+K]+ 223.998738 142.8
[M+H-H2O]+ 168.032840 129.0
[M+HCOO]- 230.033781 147.5
[M+CH3COO]- 244.049431 148.4
[M+Na-2H]- 206.010246 144.9
[M]+ 185.03503142 135.7
[M]- 185.03612858 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