CID 267100

4,4'-diacetamidobenzoin

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)NC(=O)C)O
InChI
InChI=1S/C18H18N2O4/c1-11(21)19-15-7-3-13(4-8-15)17(23)18(24)14-5-9-16(10-6-14)20-12(2)22/h3-10,17,23H,1-2H3,(H,19,21)(H,20,22)
InChIKey
CJOZJOYUNVCREY-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-acetamidophenyl)-1-hydroxy-2-oxoethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

326.12665 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 176.1
[M+Na]+ 349.11587 179.9
[M-H]- 325.11937 181.2
[M+NH4]+ 344.16047 188.0
[M+K]+ 365.08981 177.4
[M+H-H2O]+ 309.12391 167.7
[M+HCOO]- 371.12485 197.0
[M+CH3COO]- 385.14050 212.4
[M+Na-2H]- 347.10132 176.2
[M]+ 326.12610 175.0
[M]- 326.12720 175.0
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