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 184.8
[M+Na]+ 380.10238 193.9
[M-H]- 356.10588 192.6
[M+NH4]+ 375.14698 201.6
[M+K]+ 396.07632 187.2
[M+H-H2O]+ 340.11042 177.9
[M+HCOO]- 402.11136 203.6
[M+CH3COO]- 416.12701 216.2
[M+Na-2H]- 378.08783 185.6
[M]+ 357.11261 190.4
[M]- 357.11371 190.4
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.