CID 10335807

Schembl7325915

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCCCC1=CC2=CC3=C(C=C2C1N4CCN(CC4)C)OCO3
InChI
InChI=1S/C19H26N2O2/c1-3-4-5-14-10-15-11-17-18(23-13-22-17)12-16(15)19(14)21-8-6-20(2)7-9-21/h10-12,19H,3-9,13H2,1-2H3
InChIKey
LWLXLDYYQYTXME-UHFFFAOYSA-N
Compound name
1-(6-butyl-7H-cyclopenta[f][1,3]benzodioxol-7-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.206706 177.6
[M+Na]+ 337.188648 184.3
[M-H]- 313.192154 183.9
[M+NH4]+ 332.233253 192.5
[M+K]+ 353.162588 181.5
[M+H-H2O]+ 297.196690 169.9
[M+HCOO]- 359.197631 191.4
[M+CH3COO]- 373.213281 187.8
[M+Na-2H]- 335.174096 176.7
[M]+ 314.19888142 178.2
[M]- 314.19997858 178.2
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

patents stripe