CID 6410854

1,3-propanediamine, n,n-dimethyl-n'-(6-(4-fluorophenyl)-4-phenyl-3-pyridazinyl)-

Structural Information

Molecular Formula
C21H23FN4
SMILES
CN(C)CCCNC1=NN=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN4/c1-26(2)14-6-13-23-21-19(16-7-4-3-5-8-16)15-20(24-25-21)17-9-11-18(22)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,25)
InChIKey
NCOLEQQFBDYUNI-UHFFFAOYSA-N
Compound name
N-[6-(4-fluorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19067 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19795 186.2
[M+Na]+ 373.17989 200.8
[M+NH4]+ 368.22449 193.5
[M+K]+ 389.15383 191.4
[M-H]- 349.18339 192.5
[M+Na-2H]- 371.16534 197.2
[M]+ 350.19012 190.1
[M]- 350.19122 190.1
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.