CID 392234

Nsc692366

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
C1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C4=C2C5=C(C=C4)C6=CC=CC=C6N5)O)O)O
InChI
InChI=1S/C23H19BrN2O4/c24-11-5-8-17-15(9-11)14-7-6-13-12-3-1-2-4-16(12)25-19(13)20(14)26(17)23-22(29)21(28)18(27)10-30-23/h1-9,18,21-23,25,27-29H,10H2
InChIKey
ZBCFRWVVLBKZQZ-UHFFFAOYSA-N
Compound name
2-(3-bromo-11H-indolo[2,3-a]carbazol-12-yl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.05283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06011 204.8
[M+Na]+ 489.04205 217.8
[M-H]- 465.04555 212.7
[M+NH4]+ 484.08665 218.4
[M+K]+ 505.01599 205.8
[M+H-H2O]+ 449.05009 204.5
[M+HCOO]- 511.05103 215.1
[M+CH3COO]- 525.06668 215.2
[M+Na-2H]- 487.02750 206.5
[M]+ 466.05228 224.8
[M]- 466.05338 224.8
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

No patent data available for this compound.