CID 3047136

62951-80-8

Structural Information

Molecular Formula
C19H28N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC(C)C)N(C)C
InChI
InChI=1S/C19H28N4O2/c1-13(2)12-16(21(4)5)18(24)20-17-14(3)22(6)23(19(17)25)15-10-8-7-9-11-15/h7-11,13,16H,12H2,1-6H3,(H,20,24)
InChIKey
UVKPTMYQZGERNJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.22122 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.228496 185.1
[M+Na]+ 367.210438 191.0
[M-H]- 343.213944 191.2
[M+NH4]+ 362.255043 197.9
[M+K]+ 383.184378 188.8
[M+H-H2O]+ 327.218480 175.8
[M+HCOO]- 389.219421 206.3
[M+CH3COO]- 403.235071 224.8
[M+Na-2H]- 365.195886 182.1
[M]+ 344.22067142 188.7
[M]- 344.22176858 188.7
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.