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-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

118
References

1956
Patents

321.2205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 181.8
[M+Na]+ 344.20972 189.2
[M-H]- 320.21322 184.3
[M+NH4]+ 339.25432 195.3
[M+K]+ 360.18366 181.1
[M+H-H2O]+ 304.21776 171.4
[M+HCOO]- 366.21870 195.5
[M+CH3COO]- 380.23435 190.6
[M+Na-2H]- 342.19517 183.3
[M]+ 321.21995 179.7
[M]- 321.22105 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