CID 3047143

Dl-valine-4-antipyrineamide

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C(C)C)N
InChI
InChI=1S/C16H22N4O2/c1-10(2)13(17)15(21)18-14-11(3)19(4)20(16(14)22)12-8-6-5-7-9-12/h5-10,13H,17H2,1-4H3,(H,18,21)
InChIKey
LTCDIBPDVWRKOA-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 172.7
[M+Na]+ 325.16352 179.8
[M-H]- 301.16702 177.4
[M+NH4]+ 320.20812 186.4
[M+K]+ 341.13746 176.6
[M+H-H2O]+ 285.17156 164.1
[M+HCOO]- 347.17250 193.8
[M+CH3COO]- 361.18815 212.1
[M+Na-2H]- 323.14897 170.8
[M]+ 302.17375 173.0
[M]- 302.17485 173.0
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.