CID 2385930

554404-32-9

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC(=O)C1=CC(=CC=C1)N2CC3=CC=CC=C3C2=NC(=O)CCl
InChI
InChI=1S/C18H15ClN2O2/c1-12(22)13-6-4-7-15(9-13)21-11-14-5-2-3-8-16(14)18(21)20-17(23)10-19/h2-9H,10-11H2,1H3
InChIKey
BOIOQQLTDKMNRQ-UHFFFAOYSA-N
Compound name
N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

326.0822 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 176.2
[M+Na]+ 349.07142 184.7
[M-H]- 325.07492 183.8
[M+NH4]+ 344.11602 192.9
[M+K]+ 365.04536 178.8
[M+H-H2O]+ 309.07946 168.3
[M+HCOO]- 371.08040 193.9
[M+CH3COO]- 385.09605 211.0
[M+Na-2H]- 347.05687 177.4
[M]+ 326.08165 179.2
[M]- 326.08275 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.