CID 3113288

301160-69-0

Structural Information

Molecular Formula
C17H18Br2N2O2
SMILES
C1=CC2=C(C=C1Br)C3=C(N2CC(CNCCO)O)C=CC(=C3)Br
InChI
InChI=1S/C17H18Br2N2O2/c18-11-1-3-16-14(7-11)15-8-12(19)2-4-17(15)21(16)10-13(23)9-20-5-6-22/h1-4,7-8,13,20,22-23H,5-6,9-10H2
InChIKey
OXGQUYAYFRUDHS-UHFFFAOYSA-N
Compound name
1-(3,6-dibromocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

439.9735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.98078 179.0
[M+Na]+ 462.96272 188.3
[M-H]- 438.96622 183.9
[M+NH4]+ 458.00732 194.2
[M+K]+ 478.93666 171.8
[M+H-H2O]+ 422.97076 185.5
[M+HCOO]- 484.97170 191.3
[M+CH3COO]- 498.98735 223.2
[M+Na-2H]- 460.94817 183.0
[M]+ 439.97295 214.1
[M]- 439.97405 214.1
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