CID 19916055

Ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂

SMILES

CCOC(=O)C1=NN2C(=CC=NC2=C1)C3=CC(=CC=C3)N

InChI

InChI=1S/C15H14N4O2/c1-2-21-15(20)12-9-14-17-7-6-13(19(14)18-12)10-4-3-5-11(16)8-10/h3-9H,2,16H2,1H3

InChIKey

CLOVVVJVLCYVNW-UHFFFAOYSA-N

Compound name

ethyl 7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.11166 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.118936	163.9
[M+Na]+	305.100878	174.2
[M-H]-	281.104384	168.3
[M+NH4]+	300.145483	178.2
[M+K]+	321.074818	169.3
[M+H-H2O]+	265.108920	154.4
[M+HCOO]-	327.109861	186.0
[M+CH3COO]-	341.125511	175.8
[M+Na-2H]-	303.086326	169.0
[M]+	282.11111142	166.8
[M]-	282.11220858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe