CID 6914411

3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propoxyimino)-2,3-dihydro-1h-benz(e)indene hcl

Structural Information

Molecular Formula
C26H28ClN3O
SMILES
C1C/C(=N/OCCCN2CCN(CC2)C3=CC(=CC=C3)Cl)/C4=C1C5=CC=CC=C5C=C4
InChI
InChI=1S/C26H28ClN3O/c27-21-6-3-7-22(19-21)30-16-14-29(15-17-30)13-4-18-31-28-26-12-11-24-23-8-2-1-5-20(23)9-10-25(24)26/h1-3,5-10,19H,4,11-18H2/b28-26-
InChIKey
OJTNODFRZTYPCA-SGEDCAFJSA-N
Compound name
(Z)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]-1,2-dihydrocyclopenta[a]naphthalen-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.19208 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19936 207.5
[M+Na]+ 456.18130 212.5
[M-H]- 432.18480 215.2
[M+NH4]+ 451.22590 218.3
[M+K]+ 472.15524 203.8
[M+H-H2O]+ 416.18934 194.8
[M+HCOO]- 478.19028 218.6
[M+CH3COO]- 492.20593 214.6
[M+Na-2H]- 454.16675 207.3
[M]+ 433.19153 206.6
[M]- 433.19263 206.6
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.