CID 16729348

1-(9,9a-dihydro-4ah-xanthen-3-ylmethyl)-4-methyl-piperazine

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN1CCN(CC1)CC2=CC3C(CC4=CC=CC=C4O3)C=C2
InChI
InChI=1S/C19H24N2O/c1-20-8-10-21(11-9-20)14-15-6-7-17-13-16-4-2-3-5-18(16)22-19(17)12-15/h2-7,12,17,19H,8-11,13-14H2,1H3
InChIKey
WAQIBMQDRRAURT-UHFFFAOYSA-N
Compound name
1-(9,9a-dihydro-4aH-xanthen-3-ylmethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.18887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 172.3
[M+Na]+ 319.178088 177.1
[M-H]- 295.181594 176.7
[M+NH4]+ 314.222693 184.9
[M+K]+ 335.152028 172.5
[M+H-H2O]+ 279.186130 161.3
[M+HCOO]- 341.187071 183.6
[M+CH3COO]- 355.202721 181.0
[M+Na-2H]- 317.163536 176.6
[M]+ 296.18832142 167.1
[M]- 296.18941858 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.