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 185.7
[M+Na]+ 373.17989 191.7
[M-H]- 349.18339 192.3
[M+NH4]+ 368.22449 195.6
[M+K]+ 389.15383 185.6
[M+H-H2O]+ 333.18793 172.8
[M+HCOO]- 395.18887 207.6
[M+CH3COO]- 409.20452 223.3
[M+Na-2H]- 371.16534 190.1
[M]+ 350.19012 185.4
[M]- 350.19122 185.4
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

No patent data available for this compound.