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 192.9
[M+Na]+ 474.02767 203.5
[M-H]- 450.03117 201.1
[M+NH4]+ 469.07227 209.9
[M+K]+ 490.00161 183.2
[M+H-H2O]+ 434.03571 201.5
[M+HCOO]- 496.03665 206.9
[M+CH3COO]- 510.05230 226.9
[M+Na-2H]- 472.01312 199.3
[M]+ 451.03790 230.2
[M]- 451.03900 230.2
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