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]+ 323.21178 178.3
[M+Na]+ 345.19372 182.9
[M-H]- 321.19722 183.2
[M+NH4]+ 340.23832 191.7
[M+K]+ 361.16766 179.8
[M+H-H2O]+ 305.20176 169.8
[M+HCOO]- 367.20270 192.6
[M+CH3COO]- 381.21835 186.9
[M+Na-2H]- 343.17917 180.2
[M]+ 322.20395 173.1
[M]- 322.20505 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.