CID 24971312

Lw4j8q7hmc

Structural Information

Molecular Formula

C₁₀H₁₀ClN₅

SMILES

CC(C)NC1=CC(=NC2=C(C=NN12)C#N)Cl

InChI

InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3

InChIKey

HFTLYNKTSANXFA-UHFFFAOYSA-N

Compound name

5-chloro-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: 235.06247 Da
Monoisotopic Mass: 2.1
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]+	236.06975	150.4
[M+Na]+	258.05169	162.9
[M-H]-	234.05519	150.1
[M+NH4]+	253.09629	165.7
[M+K]+	274.02563	157.2
[M+H-H2O]+	218.05973	135.5
[M+HCOO]-	280.06067	164.3
[M+CH3COO]-	294.07632	161.1
[M+Na-2H]-	256.03714	155.1
[M]+	235.06192	148.6
[M]-	235.06302	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe