CID 53389

Rimcazole

Structural Information

Molecular Formula
C21H27N3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
InChIKey
GUDVQJXODNJRIJ-CALCHBBNSA-N
Compound name
9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

118
References

2010
Patents

321.2205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.227776 181.8
[M+Na]+ 344.209718 189.2
[M-H]- 320.213224 184.3
[M+NH4]+ 339.254323 195.3
[M+K]+ 360.183658 181.1
[M+H-H2O]+ 304.217760 171.4
[M+HCOO]- 366.218701 195.5
[M+CH3COO]- 380.234351 190.6
[M+Na-2H]- 342.195166 183.3
[M]+ 321.21995142 179.7
[M]- 321.22104858 179.7
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

patents stripe