CID 6909473

Phcon2 4acnphch

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.11642 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.6
[M+Na]+ 304.10564 169.4
[M-H]- 280.10914 172.4
[M+NH4]+ 299.15024 179.6
[M+K]+ 320.07958 166.3
[M+H-H2O]+ 264.11368 155.6
[M+HCOO]- 326.11462 191.8
[M+CH3COO]- 340.13027 208.1
[M+Na-2H]- 302.09109 170.1
[M]+ 281.11587 163.7
[M]- 281.11697 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.