CID 44144583

55902-08-4

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=NN(C(=O)C=C1)CC(=O)NC(C)CC2=CC=CC=C2
InChI
InChI=1S/C16H19N3O2/c1-12-8-9-16(21)19(18-12)11-15(20)17-13(2)10-14-6-4-3-5-7-14/h3-9,13H,10-11H2,1-2H3,(H,17,20)
InChIKey
AHLHPYIDIJUJDZ-UHFFFAOYSA-N
Compound name
2-(3-methyl-6-oxopyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 167.0
[M+Na]+ 308.136958 173.7
[M-H]- 284.140464 171.0
[M+NH4]+ 303.181563 179.5
[M+K]+ 324.110898 169.7
[M+H-H2O]+ 268.145000 157.4
[M+HCOO]- 330.145941 187.9
[M+CH3COO]- 344.161591 204.2
[M+Na-2H]- 306.122406 170.8
[M]+ 285.14719142 168.0
[M]- 285.14828858 168.0
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.