CID 165928416

Tert-butyl n-{3-bromo-1-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl}carbamate

Structural Information

Molecular Formula
C11H14BrN5O2
SMILES
CC(C)(C)OC(=O)NC1=C2C(=NC=N1)N(N=C2Br)C
InChI
InChI=1S/C11H14BrN5O2/c1-11(2,3)19-10(18)15-8-6-7(12)16-17(4)9(6)14-5-13-8/h5H,1-4H3,(H,13,14,15,18)
InChIKey
FECDUGMSQJQEBY-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.03308 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04036 164.5
[M+Na]+ 350.02230 178.3
[M-H]- 326.02580 168.1
[M+NH4]+ 345.06690 180.6
[M+K]+ 365.99624 167.3
[M+H-H2O]+ 310.03034 162.7
[M+HCOO]- 372.03128 182.1
[M+CH3COO]- 386.04693 205.3
[M+Na-2H]- 348.00775 172.3
[M]+ 327.03253 187.5
[M]- 327.03363 187.5
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.