CID 19067487

3-(4-methylbenzyl)-1h-pyrazole-4,5-diamine sulfate

Structural Information

Molecular Formula
C11H14N4
SMILES
CC1=CC=C(C=C1)CC2=C(C(=NN2)N)N
InChI
InChI=1S/C11H14N4/c1-7-2-4-8(5-3-7)6-9-10(12)11(13)15-14-9/h2-5H,6,12H2,1H3,(H3,13,14,15)
InChIKey
XNPAXPXPOQDARD-UHFFFAOYSA-N
Compound name
5-[(4-methylphenyl)methyl]-1H-pyrazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

202.12184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.129116 144.8
[M+Na]+ 225.111058 153.5
[M-H]- 201.114564 147.6
[M+NH4]+ 220.155663 161.8
[M+K]+ 241.084998 148.4
[M+H-H2O]+ 185.119100 136.9
[M+HCOO]- 247.120041 167.8
[M+CH3COO]- 261.135691 157.0
[M+Na-2H]- 223.096506 148.3
[M]+ 202.12129142 140.7
[M]- 202.12238858 140.7
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