CID 3049765

Brn 0844123

Structural Information

Molecular Formula
C21H21ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)/C=C/3\CC4=C(C3=O)C=CC=C4Cl
InChI
InChI=1S/C21H21ClN2O2/c1-26-20-8-3-2-7-19(20)24-11-9-23(10-12-24)14-15-13-17-16(21(15)25)5-4-6-18(17)22/h2-8,14H,9-13H2,1H3/b15-14+
InChIKey
ORXBSAJRMXHQTQ-CCEZHUSRSA-N
Compound name
(2E)-4-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12915 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13643 187.9
[M+Na]+ 391.11837 203.1
[M+NH4]+ 386.16297 196.3
[M+K]+ 407.09231 195.3
[M-H]- 367.12187 193.3
[M+Na-2H]- 389.10382 194.7
[M]+ 368.12860 191.9
[M]- 368.12970 191.9
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.