CID 46239015

Sch900776

Structural Information

Molecular Formula
C15H18BrN7
SMILES
CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@@H]4CCCNC4
InChI
InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1
InChIKey
GMIZZEXBPRLVIV-SECBINFHSA-N
Compound name
6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

1085
Patents

375.08072 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08800 178.2
[M+Na]+ 398.06994 190.5
[M-H]- 374.07344 183.6
[M+NH4]+ 393.11454 190.1
[M+K]+ 414.04388 176.7
[M+H-H2O]+ 358.07798 174.7
[M+HCOO]- 420.07892 191.4
[M+CH3COO]- 434.09457 189.0
[M+Na-2H]- 396.05539 179.6
[M]+ 375.08017 193.3
[M]- 375.08127 193.3
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