CID 9596017

308134-45-4

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
C/C(=N\NC(=O)COC1=CC=C(C=C1)Cl)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H17ClN2O2/c1-14(7-8-15-5-3-2-4-6-15)20-21-18(22)13-23-17-11-9-16(19)10-12-17/h2-12H,13H2,1H3,(H,21,22)/b8-7+,20-14+
InChIKey
UKOYZPTZZFEPOM-BSNOEWQHSA-N
Compound name
2-(4-chlorophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.09787 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.105146 177.6
[M+Na]+ 351.087088 183.3
[M-H]- 327.090594 184.9
[M+NH4]+ 346.131693 192.0
[M+K]+ 367.061028 177.7
[M+H-H2O]+ 311.095130 169.4
[M+HCOO]- 373.096071 198.7
[M+CH3COO]- 387.111721 212.5
[M+Na-2H]- 349.072536 181.0
[M]+ 328.09732142 180.5
[M]- 328.09841858 180.5
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.