CID 74890577

Rg7304

Structural Information

Molecular Formula
C12H12N4O
SMILES
CN(C1=CC(=O)NN=C1)/N=C\C2=CC=CC=C2
InChI
InChI=1S/C12H12N4O/c1-16(11-7-12(17)15-13-9-11)14-8-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,17)/b14-8-
InChIKey
CTGDOGPKSFBVDA-ZSOIEALJSA-N
Compound name
4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 149.1
[M+Na]+ 251.09032 156.5
[M-H]- 227.09382 154.6
[M+NH4]+ 246.13492 164.1
[M+K]+ 267.06426 153.1
[M+H-H2O]+ 211.09836 139.4
[M+HCOO]- 273.09930 174.6
[M+CH3COO]- 287.11495 195.5
[M+Na-2H]- 249.07577 157.9
[M]+ 228.10055 148.6
[M]- 228.10165 148.6
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

patents stripe