CID 13303412

1h-pyrazole-3-carboxylic acid, 4-amino-5-(4-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CN(C)C1=CC=C(C=C1)C2=NNC(=C2N)C(=O)O
InChI
InChI=1S/C12H14N4O2/c1-16(2)8-5-3-7(4-6-8)10-9(13)11(12(17)18)15-14-10/h3-6H,13H2,1-2H3,(H,14,15)(H,17,18)
InChIKey
SURSDNAYXSJGTG-UHFFFAOYSA-N
Compound name
4-amino-3-[4-(dimethylamino)phenyl]-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11168 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 154.9
[M+Na]+ 269.10090 162.4
[M-H]- 245.10440 158.3
[M+NH4]+ 264.14550 169.9
[M+K]+ 285.07484 159.2
[M+H-H2O]+ 229.10894 146.7
[M+HCOO]- 291.10988 176.7
[M+CH3COO]- 305.12553 196.9
[M+Na-2H]- 267.08635 156.6
[M]+ 246.11113 153.0
[M]- 246.11223 153.0
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

No patent data available for this compound.