CID 3049809

Brn 0725392

Structural Information

Molecular Formula
C25H30BrN3O3S
SMILES
CC(C)CN(CC(C)C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H30BrN3O3S/c1-16(2)13-28(14-17(3)4)23(30)15-33-25-27-22-11-6-18(26)12-21(22)24(31)29(25)19-7-9-20(32-5)10-8-19/h6-12,16-17H,13-15H2,1-5H3
InChIKey
ZFIJFZYXFUBQLS-UHFFFAOYSA-N
Compound name
2-[6-bromo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.11914 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.12642 200.5
[M+Na]+ 554.10836 203.7
[M+NH4]+ 549.15296 202.8
[M+K]+ 570.08230 202.2
[M-H]- 530.11186 202.3
[M+Na-2H]- 552.09381 203.3
[M]+ 531.11859 200.7
[M]- 531.11969 200.7
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.