CID 49544

9-(1-propyl-3-piperidyl)methylcarbazole

Structural Information

Molecular Formula
C21H26N2
SMILES
CCCN1CCCC(C1)CN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H26N2/c1-2-13-22-14-7-8-17(15-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h3-6,9-12,17H,2,7-8,13-16H2,1H3
InChIKey
ADBXDHCBNOZFOH-UHFFFAOYSA-N
Compound name
9-[(1-propylpiperidin-3-yl)methyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.3
[M+Na]+ 329.19882 183.2
[M-H]- 305.20232 181.1
[M+NH4]+ 324.24342 192.1
[M+K]+ 345.17276 176.1
[M+H-H2O]+ 289.20686 166.2
[M+HCOO]- 351.20780 192.9
[M+CH3COO]- 365.22345 186.2
[M+Na-2H]- 327.18427 178.9
[M]+ 306.20905 175.0
[M]- 306.21015 175.0
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.