CID 460596

3-[(3-ethyl-4(3h)-quinazolinone-2-yl)-mercaptoacetylhdrazono)-5-bromo-2-indolinone

Structural Information

Molecular Formula
C20H16BrN5O3S
SMILES
CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N=NC3=C(NC4=C3C=C(C=C4)Br)O
InChI
InChI=1S/C20H16BrN5O3S/c1-2-26-19(29)12-5-3-4-6-14(12)23-20(26)30-10-16(27)24-25-17-13-9-11(21)7-8-15(13)22-18(17)28/h3-9,22,28H,2,10H2,1H3
InChIKey
FGLIJVLBQNCTHB-UHFFFAOYSA-N
Compound name
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.01572 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.02300 192.9
[M+Na]+ 508.00494 206.2
[M-H]- 484.00844 201.3
[M+NH4]+ 503.04954 204.8
[M+K]+ 523.97888 192.3
[M+H-H2O]+ 468.01298 190.4
[M+HCOO]- 530.01392 208.0
[M+CH3COO]- 544.02957 204.4
[M+Na-2H]- 505.99039 198.2
[M]+ 485.01517 218.0
[M]- 485.01627 218.0
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.