CID 16073768

2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-n-(2-methoxyethyl)-4h-pyrazolo[1,5-c]pyrimidin-7-amine

Structural Information

Molecular Formula
C24H27ClN7O
SMILES
COCCNC1=[N+]=CCC2=C(C(=NN21)C3=CC(=CC=C3)Cl)C4=NC(=NC=C4)NC5CCCC5
InChI
InChI=1S/C24H26ClN7O/c1-33-14-13-28-24-27-12-10-20-21(22(31-32(20)24)16-5-4-6-17(25)15-16)19-9-11-26-23(30-19)29-18-7-2-3-8-18/h4-6,9,11-12,15,18H,2-3,7-8,10,13-14H2,1H3,(H,26,29,30)/p+1
InChIKey
TXNABZUFSKTXIN-UHFFFAOYSA-O
Compound name
2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)-4H-pyrazolo[1,5-c]pyrimidin-6-ium-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.19656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20384 210.2
[M+Na]+ 487.18578 216.0
[M-H]- 463.18928 217.6
[M+NH4]+ 482.23038 215.5
[M+K]+ 503.15972 202.5
[M+H-H2O]+ 447.19382 198.8
[M+HCOO]- 509.19476 222.2
[M+CH3COO]- 523.21041 216.5
[M+Na-2H]- 485.17123 212.7
[M]+ 464.19601 210.3
[M]- 464.19711 210.3
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.