CID 24971313

5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C16H23N7
SMILES
CC(C)NC1=CC(=NC2=C(C=NN12)C#N)NC3CCC(CC3)N
InChI
InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)
InChIKey
FOESVLPZMGVWBM-UHFFFAOYSA-N
Compound name
5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

313.2015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.20878 173.8
[M+Na]+ 336.19072 181.0
[M-H]- 312.19422 174.7
[M+NH4]+ 331.23532 184.1
[M+K]+ 352.16466 174.9
[M+H-H2O]+ 296.19876 156.9
[M+HCOO]- 358.19970 188.6
[M+CH3COO]- 372.21535 180.9
[M+Na-2H]- 334.17617 175.3
[M]+ 313.20095 164.5
[M]- 313.20205 164.5
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