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

143
Patents

202.12184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 144.8
[M+Na]+ 225.11106 153.5
[M-H]- 201.11456 147.6
[M+NH4]+ 220.15566 161.8
[M+K]+ 241.08500 148.4
[M+H-H2O]+ 185.11910 136.9
[M+HCOO]- 247.12004 167.8
[M+CH3COO]- 261.13569 157.0
[M+Na-2H]- 223.09651 148.3
[M]+ 202.12129 140.7
[M]- 202.12239 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