CID 9588517

Brn 5647754

Structural Information

Molecular Formula
C23H16ClN5O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42
InChI
InChI=1S/C23H16ClN5O/c24-16-10-11-18-19(12-16)26-22-17-8-4-5-9-20(17)29(23(22)27-18)14-21(30)28-25-13-15-6-2-1-3-7-15/h1-13H,14H2,(H,28,30)/b25-13+
InChIKey
QOEDTFUEJAQUIR-DHRITJCHSA-N
Compound name
N-[(E)-benzylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10434 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11162 196.3
[M+Na]+ 436.09356 207.7
[M-H]- 412.09706 203.5
[M+NH4]+ 431.13816 208.1
[M+K]+ 452.06750 198.6
[M+H-H2O]+ 396.10160 184.6
[M+HCOO]- 458.10254 214.2
[M+CH3COO]- 472.11819 206.2
[M+Na-2H]- 434.07901 204.5
[M]+ 413.10379 203.1
[M]- 413.10489 203.1
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.