CID 5332990

2clphcon2 piper

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClN2O3/c16-12-4-2-1-3-11(12)15(19)18-17-8-10-5-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19)/b17-8+
InChIKey
YVIPTYQTDKOHBF-CAOOACKPSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05308 168.8
[M+Na]+ 325.03502 177.0
[M-H]- 301.03852 179.0
[M+NH4]+ 320.07962 184.7
[M+K]+ 341.00896 174.4
[M+H-H2O]+ 285.04306 161.9
[M+HCOO]- 347.04400 188.9
[M+CH3COO]- 361.05965 181.4
[M+Na-2H]- 323.02047 175.1
[M]+ 302.04525 173.2
[M]- 302.04635 173.2
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.