CID 432608

5,11-dimethyl-2-[2-(1-piperidyl)ethyl]-6h-pyrido[4,3-b]carbazol-2-ium-9-ol

Structural Information

Molecular Formula
C24H28N3O
SMILES
CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)CCN5CCCCC5
InChI
InChI=1S/C24H27N3O/c1-16-21-15-27(13-12-26-9-4-3-5-10-26)11-8-19(21)17(2)24-23(16)20-14-18(28)6-7-22(20)25-24/h6-8,11,14-15,28H,3-5,9-10,12-13H2,1-2H3/p+1
InChIKey
FYCLDNIGWUYSFQ-UHFFFAOYSA-O
Compound name
5,11-dimethyl-2-(2-piperidin-1-ylethyl)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

23
Patents

374.22324 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.23052 197.1
[M+Na]+ 397.21246 205.7
[M-H]- 373.21596 200.4
[M+NH4]+ 392.25706 208.4
[M+K]+ 413.18640 190.9
[M+H-H2O]+ 357.22050 188.9
[M+HCOO]- 419.22144 208.8
[M+CH3COO]- 433.23709 204.8
[M+Na-2H]- 395.19791 201.2
[M]+ 374.22269 195.3
[M]- 374.22379 195.3
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