CID 3049806

Brn 0720125

Structural Information

Molecular Formula
C24H28BrN3O2S
SMILES
CC(C)CN(CC(C)C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C24H28BrN3O2S/c1-16(2)13-27(14-17(3)4)22(29)15-31-24-26-21-11-10-18(25)12-20(21)23(30)28(24)19-8-6-5-7-9-19/h5-12,16-17H,13-15H2,1-4H3
InChIKey
MFBVPSHZCASKMS-UHFFFAOYSA-N
Compound name
2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N,N-bis(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.10855 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11583 192.7
[M+Na]+ 524.09777 196.2
[M+NH4]+ 519.14237 195.7
[M+K]+ 540.07171 194.3
[M-H]- 500.10127 194.9
[M+Na-2H]- 522.08322 196.4
[M]+ 501.10800 193.1
[M]- 501.10910 193.1
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.