CID 10198390

4,5-diamino-1-((4-chlorophenyl)methyl)-1h-pyrazole-sulfate

Structural Information

Molecular Formula

C₁₀H₁₁ClN₄

SMILES

C1=CC(=CC=C1CN2C(=C(C=N2)N)N)Cl

InChI

InChI=1S/C10H11ClN4/c11-8-3-1-7(2-4-8)6-15-10(13)9(12)5-14-15/h1-5H,6,12-13H2

InChIKey

DEZOGYCXWGTILF-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]pyrazole-4,5-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5905
Patents: 222.06723 Da
Monoisotopic Mass: 1.4
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]+	223.074506	147.9
[M+Na]+	245.056448	158.0
[M-H]-	221.059954	151.7
[M+NH4]+	240.101053	165.5
[M+K]+	261.030388	152.2
[M+H-H2O]+	205.064490	140.1
[M+HCOO]-	267.065431	167.8
[M+CH3COO]-	281.081081	160.5
[M+Na-2H]-	243.041896	151.6
[M]+	222.06668142	147.1
[M]-	222.06777858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe