CID 6410853

3-pyridazinamine, 6-(4-chlorophenyl)-n-(2-(dimethylamino)ethyl)-4-phenyl-

Structural Information

Molecular Formula
C20H21ClN4
SMILES
CN(C)CCNC1=NN=C(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H21ClN4/c1-25(2)13-12-22-20-18(15-6-4-3-5-7-15)14-19(23-24-20)16-8-10-17(21)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKey
MPDTZGJKYHCEKO-UHFFFAOYSA-N
Compound name
N-[6-(4-chlorophenyl)-4-phenylpyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.14548 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15276 185.0
[M+Na]+ 375.13470 192.2
[M-H]- 351.13820 192.8
[M+NH4]+ 370.17930 195.8
[M+K]+ 391.10864 185.3
[M+H-H2O]+ 335.14274 173.6
[M+HCOO]- 397.14368 203.7
[M+CH3COO]- 411.15933 194.9
[M+Na-2H]- 373.12015 190.0
[M]+ 352.14493 187.8
[M]- 352.14603 187.8
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.