CID 205562

(2-anilino-5-acetamido)tropone

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC(=O)NC1=CC=C(C(=O)C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H14N2O2/c1-11(18)16-13-7-9-14(15(19)10-8-13)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKey
UXWNCONWVYWLFD-UHFFFAOYSA-N
Compound name
N-(4-anilino-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 158.6
[M+Na]+ 277.09475 169.0
[M+NH4]+ 272.13935 165.3
[M+K]+ 293.06869 163.9
[M-H]- 253.09825 162.8
[M+Na-2H]- 275.08020 166.7
[M]+ 254.10498 161.2
[M]- 254.10608 161.2
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.