CID 1043982

1-butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-methylphenyl)-1-piperazinyl)-, hydrochloride

Structural Information

Molecular Formula
C26H34N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)C4CCCC4
InChI
InChI=1S/C26H34N2O/c1-21-7-2-5-10-25(21)28-19-17-27(18-20-28)16-6-11-26(29)24-14-12-23(13-15-24)22-8-3-4-9-22/h2,5,7,10,12-15,22H,3-4,6,8-9,11,16-20H2,1H3
InChIKey
RQPIRKPHQUYTIA-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.26712 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.27440 200.3
[M+Na]+ 413.25634 201.4
[M-H]- 389.25984 208.0
[M+NH4]+ 408.30094 209.3
[M+K]+ 429.23028 194.7
[M+H-H2O]+ 373.26438 188.0
[M+HCOO]- 435.26532 213.3
[M+CH3COO]- 449.28097 206.8
[M+Na-2H]- 411.24179 195.1
[M]+ 390.26657 193.8
[M]- 390.26767 193.8
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

patents stripe