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 146.2
[M+Na]+ 237.09983 153.5
[M-H]- 213.10333 152.8
[M+NH4]+ 232.14443 164.1
[M+K]+ 253.07377 149.9
[M+H-H2O]+ 197.10787 138.7
[M+HCOO]- 259.10881 172.6
[M+CH3COO]- 273.12446 192.5
[M+Na-2H]- 235.08528 153.2
[M]+ 214.11006 144.8
[M]- 214.11116 144.8
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

patents stripe