CID 4764089

N1-(3-methoxyphenyl)benzene-1,4-diamine

Structural Information

Molecular Formula
C13H14N2O
SMILES
COC1=CC=CC(=C1)NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H14N2O/c1-16-13-4-2-3-12(9-13)15-11-7-5-10(14)6-8-11/h2-9,15H,14H2,1H3
InChIKey
HKUTXVKTVXDDRO-UHFFFAOYSA-N
Compound name
4-N-(3-methoxyphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

214.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 147.9
[M+Na]+ 237.09983 161.5
[M+NH4]+ 232.14443 157.0
[M+K]+ 253.07377 153.9
[M-H]- 213.10333 154.0
[M+Na-2H]- 235.08528 157.9
[M]+ 214.11006 151.6
[M]- 214.11116 151.6
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