CID 6537071

Brn 5661853

Structural Information

Molecular Formula
C24H19ClN6O
SMILES
C/C(=N/NC(=O)CN1C2=CC=CC=C2C3=NC4=C(C=CC(=C4)Cl)N=C31)/C5=CC=C(C=C5)N
InChI
InChI=1S/C24H19ClN6O/c1-14(15-6-9-17(26)10-7-15)29-30-22(32)13-31-21-5-3-2-4-18(21)23-24(31)28-19-11-8-16(25)12-20(19)27-23/h2-12H,13,26H2,1H3,(H,30,32)/b29-14-
InChIKey
RLTDYVKHSPKNKS-NUJZUDFISA-N
Compound name
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1309 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13818 204.0
[M+Na]+ 465.12012 214.5
[M-H]- 441.12362 211.3
[M+NH4]+ 460.16472 214.4
[M+K]+ 481.09406 206.1
[M+H-H2O]+ 425.12816 192.9
[M+HCOO]- 487.12910 221.2
[M+CH3COO]- 501.14475 213.1
[M+Na-2H]- 463.10557 210.2
[M]+ 442.13035 209.9
[M]- 442.13145 209.9
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.