CID 99948

2,3-dihydro-4-chloro-2-(((2-(3,4-dimethoxyphenyl)ethyl)amino)methylene)-1h-inden-1-one

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
COC1=C(C=C(C=C1)CCNC=C2CC3=C(C2=O)C=CC=C3Cl)OC
InChI
InChI=1S/C20H20ClNO3/c1-24-18-7-6-13(10-19(18)25-2)8-9-22-12-14-11-16-15(20(14)23)4-3-5-17(16)21/h3-7,10,12,22H,8-9,11H2,1-2H3
InChIKey
YJBDSPIDFKVJJC-UHFFFAOYSA-N
Compound name
4-chloro-2-[[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11316 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 183.3
[M+Na]+ 380.10238 197.2
[M+NH4]+ 375.14698 191.4
[M+K]+ 396.07632 189.8
[M-H]- 356.10588 187.9
[M+Na-2H]- 378.08783 189.2
[M]+ 357.11261 186.8
[M]- 357.11371 186.8
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.