CID 5357669

Simtrazene

Structural Information

Molecular Formula
C14H16N4
SMILES
CN(C1=CC=CC=C1)/N=N/N(C)C2=CC=CC=C2
InChI
InChI=1S/C14H16N4/c1-17(13-9-5-3-6-10-13)15-16-18(2)14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15+
InChIKey
WRINSSLBPNLASA-FOCLMDBBSA-N
Compound name
N-methyl-N-[(E)-(N-methylanilino)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12216
Patents

240.1375 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14478 154.1
[M+Na]+ 263.12672 158.7
[M-H]- 239.13022 165.8
[M+NH4]+ 258.17132 172.4
[M+K]+ 279.10066 158.7
[M+H-H2O]+ 223.13476 144.2
[M+HCOO]- 285.13570 186.6
[M+CH3COO]- 299.15135 212.3
[M+Na-2H]- 261.11217 163.1
[M]+ 240.13695 155.8
[M]- 240.13805 155.8
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.