CID 162345110

Ns00133111

Structural Information

Molecular Formula
C12H12N4
SMILES
CC1=CC(=NC(=N1)N=C2C=CC(=N)C=C2)C
InChI
InChI=1S/C12H12N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7,13H,1-2H3
InChIKey
DZTXBOXUNYISDK-UHFFFAOYSA-N
Compound name
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 147.4
[M+Na]+ 235.095418 156.3
[M-H]- 211.098924 153.3
[M+NH4]+ 230.140023 163.8
[M+K]+ 251.069358 152.1
[M+H-H2O]+ 195.103460 138.4
[M+HCOO]- 257.104401 172.4
[M+CH3COO]- 271.120051 195.1
[M+Na-2H]- 233.080866 154.8
[M]+ 212.10565142 145.6
[M]- 212.10674858 145.6
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.