CID 9589519

9-chloro-6h-indolo(2,3-b)quinoxaline-6-acetic acid 2-(1-(4-methylphenyl)ethylidene)hydrazide

Structural Information

Molecular Formula
C25H20ClN5O
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)CN2C3=C(C=C(C=C3)Cl)C4=NC5=CC=CC=C5N=C42)/C
InChI
InChI=1S/C25H20ClN5O/c1-15-7-9-17(10-8-15)16(2)29-30-23(32)14-31-22-12-11-18(26)13-19(22)24-25(31)28-21-6-4-3-5-20(21)27-24/h3-13H,14H2,1-2H3,(H,30,32)/b29-16+
InChIKey
SPKNUUBXHKGQBC-MUFRIFMGSA-N
Compound name
2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.13565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.14293 206.8
[M+Na]+ 464.12487 217.6
[M-H]- 440.12837 214.2
[M+NH4]+ 459.16947 217.6
[M+K]+ 480.09881 208.9
[M+H-H2O]+ 424.13291 195.2
[M+HCOO]- 486.13385 223.0
[M+CH3COO]- 500.14950 216.0
[M+Na-2H]- 462.11032 212.1
[M]+ 441.13510 214.1
[M]- 441.13620 214.1
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.