CID 266633

Nsc105356

Structural Information

Molecular Formula
C24H15BrN4O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C3(C(=O)C4=C(N3)C=CC(=C4)[N+](=O)[O-])C5=CNC6=C5C=C(C=C6)Br
InChI
InChI=1S/C24H15BrN4O3/c25-13-5-7-21-16(9-13)19(12-27-21)24(18-11-26-20-4-2-1-3-15(18)20)23(30)17-10-14(29(31)32)6-8-22(17)28-24/h1-12,26-28H
InChIKey
IGKHGLRADDVBRQ-UHFFFAOYSA-N
Compound name
2-(5-bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)-5-nitro-1H-indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.03275 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.04003 206.6
[M+Na]+ 509.02197 217.6
[M-H]- 485.02547 216.8
[M+NH4]+ 504.06657 220.9
[M+K]+ 524.99591 200.3
[M+H-H2O]+ 469.03001 209.2
[M+HCOO]- 531.03095 222.3
[M+CH3COO]- 545.04660 219.4
[M+Na-2H]- 507.00742 210.8
[M]+ 486.03220 223.8
[M]- 486.03330 223.8
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.