CID 176887

Metamfazone

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=NN(C(=O)C(=C1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-8-7-10(12)11(15)14(13-8)9-5-3-2-4-6-9/h2-7H,12H2,1H3
InChIKey
HARUKDOMEBNBIV-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

201.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.9
[M+Na]+ 224.079428 153.1
[M-H]- 200.082934 147.4
[M+NH4]+ 219.124033 159.2
[M+K]+ 240.053368 148.9
[M+H-H2O]+ 184.087470 134.5
[M+HCOO]- 246.088411 166.4
[M+CH3COO]- 260.104061 187.3
[M+Na-2H]- 222.064876 149.8
[M]+ 201.08966142 142.1
[M]- 201.09075858 142.1
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