CID 3073578

150391-59-6

Structural Information

Molecular Formula
C24H21BrN4O4S
SMILES
CC1=C(C2=CC=CC=C2N1)C3C(=O)C(SN3N4C(=NC5=C(C4=O)C=C(C=C5)Br)C)C(C)C(=O)O
InChI
InChI=1S/C24H21BrN4O4S/c1-11(24(32)33)22-21(30)20(19-12(2)26-17-7-5-4-6-15(17)19)29(34-22)28-13(3)27-18-9-8-14(25)10-16(18)23(28)31/h4-11,20,22,26H,1-3H3,(H,32,33)
InChIKey
RVSXCFBEQFUMTC-UHFFFAOYSA-N
Compound name
2-[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)-3-(2-methyl-1H-indol-3-yl)-4-oxo-1,2-thiazolidin-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.0467 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.05398 214.4
[M+Na]+ 563.03592 218.4
[M+NH4]+ 558.08052 215.9
[M+K]+ 579.00986 220.3
[M-H]- 539.03942 215.3
[M+Na-2H]- 561.02137 214.3
[M]+ 540.04615 214.4
[M]- 540.04725 214.4
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.