CID 6537070

Brn 5658898

Structural Information

Molecular Formula
C25H20ClN5O
SMILES
CC1=CC=C(C=C1)/C(=N\NC(=O)CN2C3=CC=CC=C3C4=NC5=C(C=CC(=C5)Cl)N=C42)/C
InChI
InChI=1S/C25H20ClN5O/c1-15-7-9-17(10-8-15)16(2)29-30-23(32)14-31-22-6-4-3-5-19(22)24-25(31)28-20-12-11-18(26)13-21(20)27-24/h3-13H,14H2,1-2H3,(H,30,32)/b29-16-
InChIKey
FJMJACDFOQDOBE-MWLSYYOVSA-N
Compound name
2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.13565 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.14293 205.9
[M+Na]+ 464.12487 224.1
[M+NH4]+ 459.16947 214.0
[M+K]+ 480.09881 215.2
[M-H]- 440.12837 212.2
[M+Na-2H]- 462.11032 214.5
[M]+ 441.13510 210.8
[M]- 441.13620 210.8
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.