CID 460591

2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-n-[(z)-(2-oxoindolin-3-ylidene)amino]acetamide

Structural Information

Molecular Formula
C20H17N5O3S
SMILES
CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C20H17N5O3S/c1-2-25-19(28)13-8-4-6-10-15(13)22-20(25)29-11-16(26)23-24-17-12-7-3-5-9-14(12)21-18(17)27/h3-10,21,27H,2,11H2,1H3
InChIKey
BVWCUGDRQKVHFG-UHFFFAOYSA-N
Compound name
2-(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

407.10522 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11250 193.6
[M+Na]+ 430.09444 204.2
[M-H]- 406.09794 199.5
[M+NH4]+ 425.13904 204.4
[M+K]+ 446.06838 197.2
[M+H-H2O]+ 390.10248 184.4
[M+HCOO]- 452.10342 210.8
[M+CH3COO]- 466.11907 203.4
[M+Na-2H]- 428.07989 197.9
[M]+ 407.10467 200.4
[M]- 407.10577 200.4
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.