CID 3080059

Brn 4272350

Structural Information

Molecular Formula
C27H25N3
SMILES
C1CCN(CC1)C2=NC3=C(C=C2)C4=C(C=C3)C5=CC=CC=C5N4CC6=CC=CC=C6
InChI
InChI=1S/C27H25N3/c1-3-9-20(10-4-1)19-30-25-12-6-5-11-21(25)22-13-15-24-23(27(22)30)14-16-26(28-24)29-17-7-2-8-18-29/h1,3-6,9-16H,2,7-8,17-19H2
InChIKey
ASKHQAMLLQLFNA-UHFFFAOYSA-N
Compound name
11-benzyl-3-piperidin-1-ylpyrido[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.20483 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.21211 197.1
[M+Na]+ 414.19405 205.2
[M-H]- 390.19755 204.7
[M+NH4]+ 409.23865 207.9
[M+K]+ 430.16799 195.2
[M+H-H2O]+ 374.20209 183.5
[M+HCOO]- 436.20303 211.9
[M+CH3COO]- 450.21868 205.3
[M+Na-2H]- 412.17950 201.0
[M]+ 391.20428 195.4
[M]- 391.20538 195.4
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.