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 190.2
[M+Na]+ 391.11837 197.9
[M-H]- 367.12187 197.3
[M+NH4]+ 386.16297 203.1
[M+K]+ 407.09231 190.1
[M+H-H2O]+ 351.12641 180.0
[M+HCOO]- 413.12735 201.5
[M+CH3COO]- 427.14300 199.3
[M+Na-2H]- 389.10382 188.4
[M]+ 368.12860 189.2
[M]- 368.12970 189.2
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.