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]+ 204.113146 146.0
[M+Na]+ 226.095088 153.8
[M-H]- 202.098594 148.4
[M+NH4]+ 221.139693 161.3
[M+K]+ 242.069028 149.2
[M+H-H2O]+ 186.103130 137.9
[M+HCOO]- 248.104071 165.2
[M+CH3COO]- 262.119721 185.4
[M+Na-2H]- 224.080536 150.4
[M]+ 203.10532142 140.6
[M]- 203.10641858 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.