CID 9572072

Nsc698981

Structural Information

Molecular Formula
C23H16BrN5O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H16BrN5O/c24-16-10-11-20-17(12-16)22-23(27-19-9-5-4-8-18(19)26-22)29(20)14-21(30)28-25-13-15-6-2-1-3-7-15/h1-13H,14H2,(H,28,30)/b25-13+
InChIKey
SGMRMKDBAITTTN-DHRITJCHSA-N
Compound name
N-[(E)-benzylideneamino]-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.05383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.06111 198.9
[M+Na]+ 480.04305 211.0
[M-H]- 456.04655 208.5
[M+NH4]+ 475.08765 211.9
[M+K]+ 496.01699 197.1
[M+H-H2O]+ 440.05109 194.2
[M+HCOO]- 502.05203 219.0
[M+CH3COO]- 516.06768 210.1
[M+Na-2H]- 478.02850 207.9
[M]+ 457.05328 221.0
[M]- 457.05438 221.0
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

No patent data available for this compound.