CID 130349

125068-54-4

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
InChI
InChI=1S/C17H19N3O2/c1-10-9-16(22)19-20-17(10)12-3-5-13(6-4-12)18-14-7-8-15(21)11(14)2/h3-6,10,18H,7-9H2,1-2H3,(H,19,22)
InChIKey
DSRIICXPBQXOKK-UHFFFAOYSA-N
Compound name
4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

297.14774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.4
[M+Na]+ 320.13696 177.6
[M-H]- 296.14046 176.6
[M+NH4]+ 315.18156 183.8
[M+K]+ 336.11090 171.8
[M+H-H2O]+ 280.14500 161.3
[M+HCOO]- 342.14594 189.3
[M+CH3COO]- 356.16159 204.2
[M+Na-2H]- 318.12241 170.2
[M]+ 297.14719 166.4
[M]- 297.14829 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe