CID 71526746

Rzl-012

Structural Information

Molecular Formula
C20H25Br2N2
SMILES
C[N+](C)(C)CCCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C20H25Br2N2/c1-24(2,3)12-6-4-5-11-23-19-9-7-15(21)13-17(19)18-14-16(22)8-10-20(18)23/h7-10,13-14H,4-6,11-12H2,1-3H3/q+1
InChIKey
ZVFMYSNPRZIABV-UHFFFAOYSA-N
Compound name
5-(3,6-dibromocarbazol-9-yl)pentyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

451.03845 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.04573 190.5
[M+Na]+ 474.02767 186.9
[M+NH4]+ 469.07227 193.2
[M+K]+ 490.00161 191.9
[M-H]- 450.03117 192.9
[M+Na-2H]- 472.01312 190.8
[M]+ 451.03790 190.0
[M]- 451.03900 190.0
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

patents stripe