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
2-[(4-chlorophenyl)methyl]pyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6011
Patents

222.06723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07451 147.9
[M+Na]+ 245.05645 158.0
[M-H]- 221.05995 151.7
[M+NH4]+ 240.10105 165.5
[M+K]+ 261.03039 152.2
[M+H-H2O]+ 205.06449 140.1
[M+HCOO]- 267.06543 167.8
[M+CH3COO]- 281.08108 160.5
[M+Na-2H]- 243.04190 151.6
[M]+ 222.06668 147.1
[M]- 222.06778 147.1
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

patents stripe