CID 6410531

Brn 0886883

Structural Information

Molecular Formula
C9H15N5O2
SMILES
CC(CN(C)C1=NN=C(C=C1)NNC=O)O
InChI
InChI=1S/C9H15N5O2/c1-7(16)5-14(2)9-4-3-8(12-13-9)11-10-6-15/h3-4,6-7,16H,5H2,1-2H3,(H,10,15)(H,11,12)
InChIKey
ZYGATCKRQMHWAP-UHFFFAOYSA-N
Compound name
N-[[6-[2-hydroxypropyl(methyl)amino]pyridazin-3-yl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.12257 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12985 149.4
[M+Na]+ 248.11179 154.8
[M-H]- 224.11529 150.5
[M+NH4]+ 243.15639 163.8
[M+K]+ 264.08573 153.9
[M+H-H2O]+ 208.11983 140.7
[M+HCOO]- 270.12077 173.1
[M+CH3COO]- 284.13642 197.9
[M+Na-2H]- 246.09724 155.8
[M]+ 225.12202 149.4
[M]- 225.12312 149.4
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