CID 49721

67239-26-3

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC(C)C1=NOC2=NC(=NC=C12)C(C)(C)C
InChI
InChI=1S/C12H17N3O/c1-7(2)9-8-6-13-11(12(3,4)5)14-10(8)16-15-9/h6-7H,1-5H3
InChIKey
RDDMWSDWKDYTNW-UHFFFAOYSA-N
Compound name
6-tert-butyl-3-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.4
[M+Na]+ 242.12638 162.3
[M-H]- 218.12988 153.6
[M+NH4]+ 237.17098 168.3
[M+K]+ 258.10032 160.7
[M+H-H2O]+ 202.13442 144.2
[M+HCOO]- 264.13536 169.8
[M+CH3COO]- 278.15101 190.5
[M+Na-2H]- 240.11183 158.1
[M]+ 219.13661 156.5
[M]- 219.13771 156.5
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

No patent data available for this compound.