CID 22586

Ursol blue grey om

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=C(C=CC(=C1)NC2=CC=C(C=C2)O)N
InChI
InChI=1S/C13H14N2O/c1-9-8-11(4-7-13(9)14)15-10-2-5-12(16)6-3-10/h2-8,15-16H,14H2,1H3
InChIKey
JGXPJGJSAMZYBO-UHFFFAOYSA-N
Compound name
4-(4-amino-3-methylanilino)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

50
Patents

214.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.8
[M+Na]+ 237.099828 154.6
[M-H]- 213.103334 152.5
[M+NH4]+ 232.144433 164.3
[M+K]+ 253.073768 150.2
[M+H-H2O]+ 197.107870 139.8
[M+HCOO]- 259.108811 171.7
[M+CH3COO]- 273.124461 191.3
[M+Na-2H]- 235.085276 152.5
[M]+ 214.11006142 144.0
[M]- 214.11115858 144.0
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