CID 10465484

101328-85-2

Structural Information

Molecular Formula
C11H13N3O
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKey
GDMRFHZLKNYRRO-SSDOTTSWSA-N
Compound name
(4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1378
References

284
Patents

203.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 145.5
[M+Na]+ 226.09509 158.4
[M+NH4]+ 221.13969 153.0
[M+K]+ 242.06903 152.2
[M-H]- 202.09859 148.6
[M+Na-2H]- 224.08054 152.7
[M]+ 203.10532 148.0
[M]- 203.10642 148.0
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