CID 62687498

1-[2-(dimethylamino)ethyl]-5-phenyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CN(C)CCN1C(=C(C=N1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2/c1-16(2)8-9-17-13(11-6-4-3-5-7-11)12(10-15-17)14(18)19/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKey
YRFUJDPMYSMIFP-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-phenylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.4
[M+Na]+ 282.12130 166.4
[M-H]- 258.12480 163.9
[M+NH4]+ 277.16590 174.9
[M+K]+ 298.09524 163.9
[M+H-H2O]+ 242.12934 150.6
[M+HCOO]- 304.13028 181.7
[M+CH3COO]- 318.14593 199.4
[M+Na-2H]- 280.10675 161.7
[M]+ 259.13153 161.3
[M]- 259.13263 161.3
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.