CID 131750076

2202738-43-8

Structural Information

Molecular Formula
C17H24BrN5O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CN2C=NC3=C(N(N=C3C2=O)C)Br)O
InChI
InChI=1S/C17H24BrN5O4/c1-16(2,3)27-15(25)22-7-5-17(26,6-8-22)9-23-10-19-11-12(14(23)24)20-21(4)13(11)18/h10,26H,5-9H2,1-4H3
InChIKey
RSYPXJFNLSORHT-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3-bromo-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)methyl]-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

441.10117 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.10845 191.3
[M+Na]+ 464.09039 203.2
[M-H]- 440.09389 194.9
[M+NH4]+ 459.13499 202.8
[M+K]+ 480.06433 192.1
[M+H-H2O]+ 424.09843 189.6
[M+HCOO]- 486.09937 201.0
[M+CH3COO]- 500.11502 220.2
[M+Na-2H]- 462.07584 194.9
[M]+ 441.10062 212.6
[M]- 441.10172 212.6
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