CID 3021894

5-pyrazolecarboxylic acid, 4-(dimethylamino)-1-methyl-3-phenyl-

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CN1C(=C(C(=N1)C2=CC=CC=C2)N(C)C)C(=O)O
InChI
InChI=1S/C13H15N3O2/c1-15(2)11-10(9-7-5-4-6-8-9)14-16(3)12(11)13(17)18/h4-8H,1-3H3,(H,17,18)
InChIKey
XWICEHFLQGMPBE-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-methyl-5-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 155.5
[M+Na]+ 268.10564 167.4
[M+NH4]+ 263.15024 162.1
[M+K]+ 284.07958 164.4
[M-H]- 244.10914 157.8
[M+Na-2H]- 266.09109 162.0
[M]+ 245.11587 157.6
[M]- 245.11697 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.