CID 3088390

3(2h)-pyridazinone, 4,5-dihydro-5-(4-aminophenyl)-6-methyl-

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=NNC(=O)CC1C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O/c1-7-10(6-11(15)14-13-7)8-2-4-9(12)5-3-8/h2-5,10H,6,12H2,1H3,(H,14,15)
InChIKey
IBJHHNXUUIHLKO-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)-3-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 146.0
[M+Na]+ 226.09509 153.8
[M-H]- 202.09859 148.4
[M+NH4]+ 221.13969 161.3
[M+K]+ 242.06903 149.2
[M+H-H2O]+ 186.10313 137.9
[M+HCOO]- 248.10407 165.2
[M+CH3COO]- 262.11972 185.4
[M+Na-2H]- 224.08054 150.4
[M]+ 203.10532 140.6
[M]- 203.10642 140.6
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.