CID 793824

4-(piperonylideneamino)acetophenone

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC(=O)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H13NO3/c1-11(18)13-3-5-14(6-4-13)17-9-12-2-7-15-16(8-12)20-10-19-15/h2-9H,10H2,1H3
InChIKey
BMLAWJWUQFVMJJ-UHFFFAOYSA-N
Compound name
1-[4-(1,3-benzodioxol-5-ylmethylideneamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 159.8
[M+Na]+ 290.07876 167.8
[M-H]- 266.08226 170.2
[M+NH4]+ 285.12336 176.6
[M+K]+ 306.05270 166.8
[M+H-H2O]+ 250.08680 152.7
[M+HCOO]- 312.08774 183.4
[M+CH3COO]- 326.10339 200.6
[M+Na-2H]- 288.06421 165.9
[M]+ 267.08899 163.0
[M]- 267.09009 163.0
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.