CID 54399317

3-hydroxy-n,n'-diacetylbenzidine

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)O
InChI
InChI=1S/C16H16N2O3/c1-10(19)17-14-6-3-12(4-7-14)13-5-8-15(16(21)9-13)18-11(2)20/h3-9,21H,1-2H3,(H,17,19)(H,18,20)
InChIKey
VMGQAOQZVKWWNQ-UHFFFAOYSA-N
Compound name
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 165.2
[M+Na]+ 307.10532 171.4
[M-H]- 283.10882 171.1
[M+NH4]+ 302.14992 179.7
[M+K]+ 323.07926 168.0
[M+H-H2O]+ 267.11336 157.4
[M+HCOO]- 329.11430 188.5
[M+CH3COO]- 343.12995 204.3
[M+Na-2H]- 305.09077 167.9
[M]+ 284.11555 164.4
[M]- 284.11665 164.4
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

No patent data available for this compound.