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]+ 297.19615 172.3
[M+Na]+ 319.17809 177.1
[M-H]- 295.18159 176.7
[M+NH4]+ 314.22269 184.9
[M+K]+ 335.15203 172.5
[M+H-H2O]+ 279.18613 161.3
[M+HCOO]- 341.18707 183.6
[M+CH3COO]- 355.20272 181.0
[M+Na-2H]- 317.16354 176.6
[M]+ 296.18832 167.1
[M]- 296.18942 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.