CID 9578546

Brn 1826033

Structural Information

Molecular Formula
C17H14Cl2N2O2
SMILES
C=CCOC1=C(C=C(C=C1Cl)C(=O)N/N=C/C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H14Cl2N2O2/c1-2-8-23-16-14(18)9-13(10-15(16)19)17(22)21-20-11-12-6-4-3-5-7-12/h2-7,9-11H,1,8H2,(H,21,22)/b20-11+
InChIKey
XCUZINLMLFPUJJ-RGVLZGJSSA-N
Compound name
N-[(E)-benzylideneamino]-3,5-dichloro-4-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.04324 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05052 179.4
[M+Na]+ 371.03246 187.9
[M-H]- 347.03596 186.6
[M+NH4]+ 366.07706 194.1
[M+K]+ 387.00640 180.9
[M+H-H2O]+ 331.04050 172.4
[M+HCOO]- 393.04144 196.6
[M+CH3COO]- 407.05709 215.8
[M+Na-2H]- 369.01791 182.2
[M]+ 348.04269 184.7
[M]- 348.04379 184.7
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.