CID 460593

3-[(6-chloro-3-ethyl-4(3h)-quinazolinone-2-yl)-mercaptoaceptylhydrazono]-2-indolinone

Structural Information

Molecular Formula
C20H16ClN5O3S
SMILES
CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C20H16ClN5O3S/c1-2-26-19(29)13-9-11(21)7-8-15(13)23-20(26)30-10-16(27)24-25-17-12-5-3-4-6-14(12)22-18(17)28/h3-9,22,28H,2,10H2,1H3
InChIKey
CRNQEVYQFIYQNW-UHFFFAOYSA-N
Compound name
2-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.06622 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.07350 200.7
[M+Na]+ 464.05544 212.6
[M-H]- 440.05894 206.8
[M+NH4]+ 459.10004 211.3
[M+K]+ 480.02938 204.8
[M+H-H2O]+ 424.06348 192.2
[M+HCOO]- 486.06442 213.2
[M+CH3COO]- 500.08007 210.3
[M+Na-2H]- 462.04089 203.8
[M]+ 441.06567 210.1
[M]- 441.06677 210.1
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.