CID 16727953

9-[2-[(3s,5r)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole

Structural Information

Molecular Formula
C20H25N3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)CCN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H25N3/c1-15-13-22(14-16(2)21-15)11-12-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-10,15-16,21H,11-14H2,1-2H3/t15-,16+
InChIKey
DYJWQOVBILSTQG-IYBDPMFKSA-N
Compound name
9-[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.20483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 177.3
[M+Na]+ 330.19405 185.2
[M-H]- 306.19755 180.0
[M+NH4]+ 325.23865 191.4
[M+K]+ 346.16799 177.3
[M+H-H2O]+ 290.20209 167.2
[M+HCOO]- 352.20303 191.4
[M+CH3COO]- 366.21868 186.6
[M+Na-2H]- 328.17950 179.4
[M]+ 307.20428 174.9
[M]- 307.20538 174.9
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.