CID 13303431

1h-pyrazol-4-amine, 3-(4-(dimethylamino)phenyl)-, dihydrochloride

Structural Information

Molecular Formula
C11H14N4
SMILES
CN(C)C1=CC=C(C=C1)C2=C(C=NN2)N
InChI
InChI=1S/C11H14N4/c1-15(2)9-5-3-8(4-6-9)11-10(12)7-13-14-11/h3-7H,12H2,1-2H3,(H,13,14)
InChIKey
FZWMRSREMIVPTC-UHFFFAOYSA-N
Compound name
5-[4-(dimethylamino)phenyl]-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.12184 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12912 144.4
[M+Na]+ 225.11106 152.2
[M-H]- 201.11456 148.8
[M+NH4]+ 220.15566 161.9
[M+K]+ 241.08500 148.9
[M+H-H2O]+ 185.11910 135.9
[M+HCOO]- 247.12004 168.5
[M+CH3COO]- 261.13569 190.6
[M+Na-2H]- 223.09651 148.9
[M]+ 202.12129 142.1
[M]- 202.12239 142.1
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