CID 6451348

1h-imidazolium, 2-((4-aminophenyl)azo)-1,3-dimethyl-, methyl sulfate

Structural Information

Molecular Formula
C11H14N5
SMILES
CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N)C
InChI
InChI=1S/C11H13N5/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10/h3-8,12H,1-2H3/p+1
InChIKey
KMMIMBUARTWPBG-UHFFFAOYSA-O
Compound name
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5112
Patents

216.12492 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13220 146.0
[M+Na]+ 239.11414 155.1
[M-H]- 215.11764 153.6
[M+NH4]+ 234.15874 164.1
[M+K]+ 255.08808 147.0
[M+H-H2O]+ 199.12218 139.5
[M+HCOO]- 261.12312 174.9
[M+CH3COO]- 275.13877 192.5
[M+Na-2H]- 237.09959 155.0
[M]+ 216.12437 145.6
[M]- 216.12547 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

patents stripe