CID 6410803

Cm 30099

Structural Information

Molecular Formula
C13H16N4
SMILES
CC1=CC(=NN=C1NCCN)C2=CC=CC=C2
InChI
InChI=1S/C13H16N4/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14/h2-6,9H,7-8,14H2,1H3,(H,15,17)
InChIKey
IAMNQWPFFLMKPU-UHFFFAOYSA-N
Compound name
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

228.1375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 152.4
[M+Na]+ 251.12672 159.7
[M-H]- 227.13022 156.0
[M+NH4]+ 246.17132 167.0
[M+K]+ 267.10066 155.0
[M+H-H2O]+ 211.13476 143.1
[M+HCOO]- 273.13570 175.9
[M+CH3COO]- 287.15135 195.8
[M+Na-2H]- 249.11217 159.6
[M]+ 228.13695 150.5
[M]- 228.13805 150.5
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