CID 28432

17258-16-1

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC1=CC(=NN=C1NN(CC2=CC=CC=C2)C=O)C
InChI
InChI=1S/C14H16N4O/c1-11-8-12(2)15-16-14(11)17-18(10-19)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKey
QRFGIUQJSOSUJN-UHFFFAOYSA-N
Compound name
N-benzyl-N-[(4,6-dimethylpyridazin-3-yl)amino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 158.9
[M+Na]+ 279.12164 166.0
[M-H]- 255.12514 164.4
[M+NH4]+ 274.16624 173.0
[M+K]+ 295.09558 162.8
[M+H-H2O]+ 239.12968 148.9
[M+HCOO]- 301.13062 183.6
[M+CH3COO]- 315.14627 204.1
[M+Na-2H]- 277.10709 165.9
[M]+ 256.13187 160.3
[M]- 256.13297 160.3
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.