CID 173884

62989-73-5

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C17H24N4O2/c1-11(2)10-14(18)16(22)19-15-12(3)20(4)21(17(15)23)13-8-6-5-7-9-13/h5-9,11,14H,10,18H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKey
CWAVOMKTMZURCR-AWEZNQCLSA-N
Compound name
(2S)-2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

316.1899 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 177.2
[M+Na]+ 339.17912 183.9
[M-H]- 315.18262 181.7
[M+NH4]+ 334.22372 190.3
[M+K]+ 355.15306 180.4
[M+H-H2O]+ 299.18716 168.4
[M+HCOO]- 361.18810 198.0
[M+CH3COO]- 375.20375 215.0
[M+Na-2H]- 337.16457 174.8
[M]+ 316.18935 177.9
[M]- 316.19045 177.9
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.