CID 37468

9-methyl-3-(4-methylpiperidino)methyl-2,3-dihydro-4(1h)-carbazolone

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1CCN(CC1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
InChI
InChI=1S/C20H26N2O/c1-14-9-11-22(12-10-14)13-15-7-8-18-19(20(15)23)16-5-3-4-6-17(16)21(18)2/h3-6,14-15H,7-13H2,1-2H3
InChIKey
KQMKZJOJVFEJGS-UHFFFAOYSA-N
Compound name
9-methyl-3-[(4-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.211776 177.4
[M+Na]+ 333.193718 184.6
[M-H]- 309.197224 182.4
[M+NH4]+ 328.238323 193.4
[M+K]+ 349.167658 178.2
[M+H-H2O]+ 293.201760 167.9
[M+HCOO]- 355.202701 191.7
[M+CH3COO]- 369.218351 187.2
[M+Na-2H]- 331.179166 177.2
[M]+ 310.20395142 174.4
[M]- 310.20504858 174.4
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.