CID 2746

Tacedinaline

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
VAZAPHZUAVEOMC-UHFFFAOYSA-N
Compound name
4-acetamido-N-(2-aminophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

91
References

10144
Patents

269.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 161.6
[M+Na]+ 292.105638 167.0
[M-H]- 268.109144 168.0
[M+NH4]+ 287.150243 176.5
[M+K]+ 308.079578 163.7
[M+H-H2O]+ 252.113680 153.3
[M+HCOO]- 314.114621 186.9
[M+CH3COO]- 328.130271 204.9
[M+Na-2H]- 290.091086 165.4
[M]+ 269.11587142 158.7
[M]- 269.11696858 158.7
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