CID 6410653

Cm 30487

Structural Information

Molecular Formula
C15H20N4
SMILES
CC1=CC(=NN=C1NCCCCN)C2=CC=CC=C2
InChI
InChI=1S/C15H20N4/c1-12-11-14(13-7-3-2-4-8-13)18-19-15(12)17-10-6-5-9-16/h2-4,7-8,11H,5-6,9-10,16H2,1H3,(H,17,19)
InChIKey
IHGHYTVLKPZYEV-UHFFFAOYSA-N
Compound name
N'-(4-methyl-6-phenylpyridazin-3-yl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

256.1688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.176076 161.2
[M+Na]+ 279.158018 167.6
[M-H]- 255.161524 164.5
[M+NH4]+ 274.202623 174.6
[M+K]+ 295.131958 162.4
[M+H-H2O]+ 239.166060 151.5
[M+HCOO]- 301.167001 184.0
[M+CH3COO]- 315.182651 201.8
[M+Na-2H]- 277.143466 167.4
[M]+ 256.16825142 160.0
[M]- 256.16934858 160.0
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