CID 57604191

(9-(4-bromophenyl))-3,6-di-tert-butyyl-9h-carbazole

Structural Information

Molecular Formula
C26H28BrN
SMILES
CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H28BrN/c1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h7-16H,1-6H3
InChIKey
LAHSPJHDQUQBTB-UHFFFAOYSA-N
Compound name
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

433.1405 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.14778 210.2
[M+Na]+ 456.12972 222.7
[M-H]- 432.13322 220.4
[M+NH4]+ 451.17432 227.2
[M+K]+ 472.10366 209.2
[M+H-H2O]+ 416.13776 208.9
[M+HCOO]- 478.13870 225.0
[M+CH3COO]- 492.15435 221.9
[M+Na-2H]- 454.11517 213.7
[M]+ 433.13995 232.2
[M]- 433.14105 232.2
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

patents stripe