CID 6410809

N,n-dipropyl-n'-(4-methyl-6-phenyl-3-pyridazinyl)-1,2-ethanediamine ethanedioate (1:2)

Structural Information

Molecular Formula
C19H28N4
SMILES
CCCN(CCC)CCNC1=NN=C(C=C1C)C2=CC=CC=C2
InChI
InChI=1S/C19H28N4/c1-4-12-23(13-5-2)14-11-20-19-16(3)15-18(21-22-19)17-9-7-6-8-10-17/h6-10,15H,4-5,11-14H2,1-3H3,(H,20,22)
InChIKey
MSAMMXWFDDEMAO-UHFFFAOYSA-N
Compound name
N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

312.23138 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23866 179.5
[M+Na]+ 335.22060 192.3
[M+NH4]+ 330.26520 186.8
[M+K]+ 351.19454 183.6
[M-H]- 311.22410 184.6
[M+Na-2H]- 333.20605 188.1
[M]+ 312.23083 182.8
[M]- 312.23193 182.8
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