CID 150059

N-acetyl-o-dianisidine

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)N)OC)OC
InChI
InChI=1S/C16H18N2O3/c1-10(19)18-14-7-5-12(9-16(14)21-3)11-4-6-13(17)15(8-11)20-2/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
RBLSUCJLAWMIHD-UHFFFAOYSA-N
Compound name
N-[4-(4-amino-3-methoxyphenyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

286.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.3
[M+Na]+ 309.120958 173.8
[M-H]- 285.124464 173.3
[M+NH4]+ 304.165563 181.5
[M+K]+ 325.094898 171.0
[M+H-H2O]+ 269.129000 158.2
[M+HCOO]- 331.129941 191.2
[M+CH3COO]- 345.145591 207.9
[M+Na-2H]- 307.106406 168.9
[M]+ 286.13119142 168.1
[M]- 286.13228858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe