CID 3049756

1h-inden-1-one, 2,3-dihydro-4-chloro-2-(((3-(4-methyl-1-piperazinyl)propyl)amino)methylene)-

Structural Information

Molecular Formula
C18H24ClN3O
SMILES
CN1CCN(CC1)CCCN/C=C/2\CC3=C(C2=O)C=CC=C3Cl
InChI
InChI=1S/C18H24ClN3O/c1-21-8-10-22(11-9-21)7-3-6-20-13-14-12-16-15(18(14)23)4-2-5-17(16)19/h2,4-5,13,20H,3,6-12H2,1H3/b14-13+
InChIKey
RXMLPTKZYDQKLO-BUHFOSPRSA-N
Compound name
(2E)-4-chloro-2-[[3-(4-methylpiperazin-1-yl)propylamino]methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1608 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.168076 182.7
[M+Na]+ 356.150018 188.9
[M-H]- 332.153524 186.2
[M+NH4]+ 351.194623 197.2
[M+K]+ 372.123958 181.5
[M+H-H2O]+ 316.158060 173.8
[M+HCOO]- 378.159001 194.7
[M+CH3COO]- 392.174651 211.2
[M+Na-2H]- 354.135466 181.7
[M]+ 333.16025142 180.7
[M]- 333.16134858 180.7
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.