CID 24212920

1-(5-chloro-2-(hexyloxy)benzoyl)-4-methylpiperazine hydrochloride

Structural Information

Molecular Formula
C18H27ClN2O2
SMILES
CCCCCCOC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C
InChI
InChI=1S/C18H27ClN2O2/c1-3-4-5-6-13-23-17-8-7-15(19)14-16(17)18(22)21-11-9-20(2)10-12-21/h7-8,14H,3-6,9-13H2,1-2H3
InChIKey
DQZHJQWTENFYGX-UHFFFAOYSA-N
Compound name
(5-chloro-2-hexoxyphenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17612 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18340 182.3
[M+Na]+ 361.16534 187.5
[M-H]- 337.16884 184.8
[M+NH4]+ 356.20994 194.0
[M+K]+ 377.13928 182.3
[M+H-H2O]+ 321.17338 173.1
[M+HCOO]- 383.17432 193.3
[M+CH3COO]- 397.18997 210.8
[M+Na-2H]- 359.15079 181.5
[M]+ 338.17557 184.1
[M]- 338.17667 184.1
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.