CID 818851

19752-61-5

Structural Information

Molecular Formula
C12H19BrN2O2
SMILES
CC(C)(C)OC1=NC(=NC=C1Br)OC(C)(C)C
InChI
InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKey
MAWUVEDTRZARNC-UHFFFAOYSA-N
Compound name
5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

62
Patents

302.063 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07028 162.4
[M+Na]+ 325.05222 174.3
[M-H]- 301.05572 166.6
[M+NH4]+ 320.09682 179.6
[M+K]+ 341.02616 164.1
[M+H-H2O]+ 285.06026 161.8
[M+HCOO]- 347.06120 178.4
[M+CH3COO]- 361.07685 200.8
[M+Na-2H]- 323.03767 170.1
[M]+ 302.06245 185.1
[M]- 302.06355 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe