CID 129974440

1375302-01-4

Structural Information

Molecular Formula
C11H14ClN3O3
SMILES
CC(C)(C)OC(=O)N1CCOC2=CN=C(N=C21)Cl
InChI
InChI=1S/C11H14ClN3O3/c1-11(2,3)18-10(16)15-4-5-17-7-6-13-9(12)14-8(7)15/h6H,4-5H2,1-3H3
InChIKey
LVZCVIOBHRFVHT-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.07236 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07964 159.6
[M+Na]+ 294.06158 168.6
[M-H]- 270.06508 160.6
[M+NH4]+ 289.10618 172.8
[M+K]+ 310.03552 166.7
[M+H-H2O]+ 254.06962 151.9
[M+HCOO]- 316.07056 169.1
[M+CH3COO]- 330.08621 194.4
[M+Na-2H]- 292.04703 166.4
[M]+ 271.07181 163.2
[M]- 271.07291 163.2
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