CID 53400972

2,7-dibromo-9-(9-heptadecyl)carbazole

Structural Information

Molecular Formula
C29H41Br2N
SMILES
CCCCCCCCC(CCCCCCCC)N1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br
InChI
InChI=1S/C29H41Br2N/c1-3-5-7-9-11-13-15-25(16-14-12-10-8-6-4-2)32-28-21-23(30)17-19-26(28)27-20-18-24(31)22-29(27)32/h17-22,25H,3-16H2,1-2H3
InChIKey
HRUNMSCVUSIWQM-UHFFFAOYSA-N
Compound name
2,7-dibromo-9-heptadecan-9-ylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

561.1606 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.16788 220.9
[M+Na]+ 584.14982 228.2
[M-H]- 560.15332 226.2
[M+NH4]+ 579.19442 233.9
[M+K]+ 600.12376 210.3
[M+H-H2O]+ 544.15786 226.5
[M+HCOO]- 606.15880 231.2
[M+CH3COO]- 620.17445 246.1
[M+Na-2H]- 582.13527 219.3
[M]+ 561.16005 259.9
[M]- 561.16115 259.9
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