CID 9563052

4acnphcon2 phch

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C16H15N3O2/c1-12(20)18-15-9-7-14(8-10-15)16(21)19-17-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11+
InChIKey
GMKUGHZKJDHCCC-GZTJUZNOSA-N
Compound name
4-acetamido-N-[(E)-benzylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.123696 164.6
[M+Na]+ 304.105638 169.4
[M-H]- 280.109144 172.4
[M+NH4]+ 299.150243 179.6
[M+K]+ 320.079578 166.3
[M+H-H2O]+ 264.113680 155.6
[M+HCOO]- 326.114621 191.8
[M+CH3COO]- 340.130271 208.1
[M+Na-2H]- 302.091086 170.1
[M]+ 281.11587142 163.7
[M]- 281.11696858 163.7
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

No patent data available for this compound.