CID 173886

4-alanylaminoantipyrine

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N
InChI
InChI=1S/C14H18N4O2/c1-9(15)13(19)16-12-10(2)17(3)18(14(12)20)11-7-5-4-6-8-11/h4-9H,15H2,1-3H3,(H,16,19)
InChIKey
OQLNWFVUXWWSTH-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

274.14297 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 163.7
[M+Na]+ 297.13219 172.0
[M-H]- 273.13569 168.5
[M+NH4]+ 292.17679 178.6
[M+K]+ 313.10613 168.6
[M+H-H2O]+ 257.14023 155.2
[M+HCOO]- 319.14117 186.5
[M+CH3COO]- 333.15682 205.1
[M+Na-2H]- 295.11764 163.9
[M]+ 274.14242 163.9
[M]- 274.14352 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.