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

12340
Patents

240.1375 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.144776 154.1
[M+Na]+ 263.126718 158.7
[M-H]- 239.130224 165.8
[M+NH4]+ 258.171323 172.4
[M+K]+ 279.100658 158.7
[M+H-H2O]+ 223.134760 144.2
[M+HCOO]- 285.135701 186.6
[M+CH3COO]- 299.151351 212.3
[M+Na-2H]- 261.112166 163.1
[M]+ 240.13695142 155.8
[M]- 240.13804858 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.