CID 3049808

Brn 0723332

Structural Information

Molecular Formula
C24H27BrClN3O2S
SMILES
CC(C)CN(CC(C)C)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H27BrClN3O2S/c1-15(2)12-28(13-16(3)4)22(30)14-32-24-27-21-10-5-17(25)11-20(21)23(31)29(24)19-8-6-18(26)7-9-19/h5-11,15-16H,12-14H2,1-4H3
InChIKey
ZMPMYTPFRFBDNU-UHFFFAOYSA-N
Compound name
2-[6-bromo-3-(4-chlorophenyl)-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

535.0696 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.07688 205.1
[M+Na]+ 558.05882 215.1
[M-H]- 534.06232 213.4
[M+NH4]+ 553.10342 215.3
[M+K]+ 574.03276 201.2
[M+H-H2O]+ 518.06686 202.6
[M+HCOO]- 580.06780 211.2
[M+CH3COO]- 594.08345 245.6
[M+Na-2H]- 556.04427 204.5
[M]+ 535.06905 231.9
[M]- 535.07015 231.9
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.