CID 56211

91324-15-1

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CCCN(CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C21H26N2O/c24-17(15-22-13-7-1-2-8-14-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23/h3-6,9-12,17,24H,1-2,7-8,13-16H2
InChIKey
XZMXXDXFHOVSEF-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 178.3
[M+Na]+ 345.193718 182.9
[M-H]- 321.197224 183.2
[M+NH4]+ 340.238323 191.7
[M+K]+ 361.167658 179.8
[M+H-H2O]+ 305.201760 169.8
[M+HCOO]- 367.202701 192.6
[M+CH3COO]- 381.218351 186.9
[M+Na-2H]- 343.179166 180.2
[M]+ 322.20395142 173.1
[M]- 322.20504858 173.1
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

No patent data available for this compound.