CID 37181

Brn 0419919

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC1CCCN(C1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3
InChI
InChI=1S/C19H24N2O/c1-13-5-4-10-21(11-13)12-14-8-9-17-18(19(14)22)15-6-2-3-7-16(15)20-17/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3
InChIKey
ZXMWIIFSWGVQNF-UHFFFAOYSA-N
Compound name
3-[(3-methylpiperidin-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 172.4
[M+Na]+ 319.178088 178.8
[M-H]- 295.181594 175.9
[M+NH4]+ 314.222693 188.0
[M+K]+ 335.152028 171.8
[M+H-H2O]+ 279.186130 163.2
[M+HCOO]- 341.187071 185.6
[M+CH3COO]- 355.202721 181.6
[M+Na-2H]- 317.163536 173.1
[M]+ 296.18832142 167.0
[M]- 296.18941858 167.0
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