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

44
Patents

171.01994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02722 131.0
[M+Na]+ 194.00916 140.4
[M-H]- 170.01266 130.2
[M+NH4]+ 189.05376 147.1
[M+K]+ 209.98310 137.3
[M+H-H2O]+ 154.01720 123.6
[M+HCOO]- 216.01814 142.6
[M+CH3COO]- 230.03379 143.2
[M+Na-2H]- 191.99461 140.9
[M]+ 171.01939 129.6
[M]- 171.02049 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