CID 6870846

N-[(e)-[(e)-3-phenylprop-2-enylidene]amino]benzamide

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-13H,(H,18,19)/b10-7+,17-13+
InChIKey
IBLXLVVKHVGRSI-UVZCHINQSA-N
Compound name
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 157.4
[M+Na]+ 273.09983 162.6
[M-H]- 249.10333 164.7
[M+NH4]+ 268.14443 173.9
[M+K]+ 289.07377 158.2
[M+H-H2O]+ 233.10787 148.8
[M+HCOO]- 295.10881 184.5
[M+CH3COO]- 309.12446 198.8
[M+Na-2H]- 271.08528 164.4
[M]+ 250.11006 156.0
[M]- 250.11116 156.0
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