CID 2878648

1-carbazol-9-yl-3-(2-chlorophenoxy)propan-2-ol

Structural Information

Molecular Formula
C21H18ClNO2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(COC4=CC=CC=C4Cl)O
InChI
InChI=1S/C21H18ClNO2/c22-18-9-3-6-12-21(18)25-14-15(24)13-23-19-10-4-1-7-16(19)17-8-2-5-11-20(17)23/h1-12,15,24H,13-14H2
InChIKey
SONJCMFDSVOLFH-UHFFFAOYSA-N
Compound name
1-carbazol-9-yl-3-(2-chlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1026 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10988 182.0
[M+Na]+ 374.09182 191.7
[M-H]- 350.09532 188.1
[M+NH4]+ 369.13642 197.6
[M+K]+ 390.06576 184.0
[M+H-H2O]+ 334.09986 173.8
[M+HCOO]- 396.10080 197.5
[M+CH3COO]- 410.11645 192.8
[M+Na-2H]- 372.07727 186.0
[M]+ 351.10205 187.4
[M]- 351.10315 187.4
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.