CID 3049765

1h-inden-1-one, 2,3-dihydro-4-chloro-2-((4-(2-methoxyphenyl)-1-piperazinyl)methylene)-

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]+ 369.136426 190.2
[M+Na]+ 391.118368 197.9
[M-H]- 367.121874 197.3
[M+NH4]+ 386.162973 203.1
[M+K]+ 407.092308 190.1
[M+H-H2O]+ 351.126410 180.0
[M+HCOO]- 413.127351 201.5
[M+CH3COO]- 427.143001 199.3
[M+Na-2H]- 389.103816 188.4
[M]+ 368.12860142 189.2
[M]- 368.12969858 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.