CID 16073759

N-tert-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-4h-pyrazolo[1,5-c]pyrimidin-7-amine

Structural Information

Molecular Formula
C25H29FN7
SMILES
CC(C)(C)NC1=[N+]=CCC2=C(C(=NN21)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5CCCC5
InChI
InChI=1S/C25H28FN7/c1-25(2,3)31-24-28-15-13-20-21(22(32-33(20)24)16-8-10-17(26)11-9-16)19-12-14-27-23(30-19)29-18-6-4-5-7-18/h8-12,14-15,18H,4-7,13H2,1-3H3,(H,27,29,30)/p+1
InChIKey
UHAIHOHUUCRQQL-UHFFFAOYSA-O
Compound name
N-tert-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.24686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25414 209.1
[M+Na]+ 469.23608 214.9
[M-H]- 445.23958 216.2
[M+NH4]+ 464.28068 214.8
[M+K]+ 485.21002 201.4
[M+H-H2O]+ 429.24412 198.0
[M+HCOO]- 491.24506 222.9
[M+CH3COO]- 505.26071 228.9
[M+Na-2H]- 467.22153 212.3
[M]+ 446.24631 204.9
[M]- 446.24741 204.9
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.