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]+ 286.15502 167.0
[M+Na]+ 308.13696 173.7
[M-H]- 284.14046 171.0
[M+NH4]+ 303.18156 179.5
[M+K]+ 324.11090 169.7
[M+H-H2O]+ 268.14500 157.4
[M+HCOO]- 330.14594 187.9
[M+CH3COO]- 344.16159 204.2
[M+Na-2H]- 306.12241 170.8
[M]+ 285.14719 168.0
[M]- 285.14829 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.