CID 3047143

62959-54-0

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]+ 303.181576 172.7
[M+Na]+ 325.163518 179.8
[M-H]- 301.167024 177.4
[M+NH4]+ 320.208123 186.4
[M+K]+ 341.137458 176.6
[M+H-H2O]+ 285.171560 164.1
[M+HCOO]- 347.172501 193.8
[M+CH3COO]- 361.188151 212.1
[M+Na-2H]- 323.148966 170.8
[M]+ 302.17375142 173.0
[M]- 302.17484858 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.