CID 572485

Methoxy red

Structural Information

Molecular Formula
C13H14N4O
SMILES
COC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C13H14N4O/c1-18-11-5-3-10(4-6-11)16-17-13-7-2-9(14)8-12(13)15/h2-8H,14-15H2,1H3
InChIKey
CICOCOPSWDGVSR-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

242.11676 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 152.7
[M+Na]+ 265.105978 160.3
[M-H]- 241.109484 161.9
[M+NH4]+ 260.150583 170.0
[M+K]+ 281.079918 157.7
[M+H-H2O]+ 225.114020 143.9
[M+HCOO]- 287.114961 183.6
[M+CH3COO]- 301.130611 207.0
[M+Na-2H]- 263.091426 159.5
[M]+ 242.11621142 152.2
[M]- 242.11730858 152.2
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