CID 6419789

3-(3-aminophenyl)-n-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

Structural Information

Molecular Formula
C18H14ClN5
SMILES
C1=CC(=CC(=C1)N)C2=C3N=C(C=CN3N=C2)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)
InChIKey
JDNMRPIWJIDDAY-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

335.09378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.101056 176.4
[M+Na]+ 358.082998 187.6
[M-H]- 334.086504 183.6
[M+NH4]+ 353.127603 188.8
[M+K]+ 374.056938 178.8
[M+H-H2O]+ 318.091040 165.7
[M+HCOO]- 380.091981 195.3
[M+CH3COO]- 394.107631 187.4
[M+Na-2H]- 356.068446 182.7
[M]+ 335.09323142 178.4
[M]- 335.09432858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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