CID 3500583

N,n'-bis(2,5-dimethylphenyl)-1,4-diazabutadiene

Structural Information

Molecular Formula
C18H20N2
SMILES
CC1=CC(=C(C=C1)C)N=CC=NC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C18H20N2/c1-13-5-7-15(3)17(11-13)19-9-10-20-18-12-14(2)6-8-16(18)4/h5-12H,1-4H3
InChIKey
SEFKBDUCJCLPSS-UHFFFAOYSA-N
Compound name
N,N'-bis(2,5-dimethylphenyl)ethane-1,2-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 163.0
[M+Na]+ 287.151878 171.6
[M-H]- 263.155384 172.9
[M+NH4]+ 282.196483 181.2
[M+K]+ 303.125818 167.3
[M+H-H2O]+ 247.159920 154.6
[M+HCOO]- 309.160861 191.5
[M+CH3COO]- 323.176511 210.6
[M+Na-2H]- 285.137326 167.7
[M]+ 264.16211142 165.9
[M]- 264.16320858 165.9
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.