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]+ 345.22850 185.1
[M+Na]+ 367.21044 191.0
[M-H]- 343.21394 191.2
[M+NH4]+ 362.25504 197.9
[M+K]+ 383.18438 188.8
[M+H-H2O]+ 327.21848 175.8
[M+HCOO]- 389.21942 206.3
[M+CH3COO]- 403.23507 224.8
[M+Na-2H]- 365.19589 182.1
[M]+ 344.22067 188.7
[M]- 344.22177 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.