CID 5272789

2-[6-(4-chloro-2-phenyl-pyrazol-3-yl)hexoxy]-9h-carbazole

Structural Information

Molecular Formula
C27H26ClN3O
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)Cl)CCCCCCOC3=CC4=C(C=C3)C5=CC=CC=C5N4
InChI
InChI=1S/C27H26ClN3O/c28-24-19-29-31(20-10-4-3-5-11-20)27(24)14-6-1-2-9-17-32-21-15-16-23-22-12-7-8-13-25(22)30-26(23)18-21/h3-5,7-8,10-13,15-16,18-19,30H,1-2,6,9,14,17H2
InChIKey
AHLKRFUNZPAVSL-UHFFFAOYSA-N
Compound name
2-[6-(4-chloro-2-phenylpyrazol-3-yl)hexoxy]-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.17645 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18373 209.5
[M+Na]+ 466.16567 219.6
[M-H]- 442.16917 216.2
[M+NH4]+ 461.21027 220.2
[M+K]+ 482.13961 209.1
[M+H-H2O]+ 426.17371 198.1
[M+HCOO]- 488.17465 224.1
[M+CH3COO]- 502.19030 218.1
[M+Na-2H]- 464.15112 210.1
[M]+ 443.17590 216.7
[M]- 443.17700 216.7
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.