CID 129318363

21237-84-3

Structural Information

Molecular Formula
C14H16Br2N2O
SMILES
C1CCC(CC1)N2CC3=C(C(=CC(=C3)Br)Br)NC2=O
InChI
InChI=1S/C14H16Br2N2O/c15-10-6-9-8-18(11-4-2-1-3-5-11)14(19)17-13(9)12(16)7-10/h6-7,11H,1-5,8H2,(H,17,19)
InChIKey
KOZPRTSDKAZDSN-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-cyclohexyl-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.96295 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.97023 163.3
[M+Na]+ 408.95217 171.1
[M-H]- 384.95567 168.9
[M+NH4]+ 403.99677 177.6
[M+K]+ 424.92611 155.4
[M+H-H2O]+ 368.96021 170.7
[M+HCOO]- 430.96115 171.1
[M+CH3COO]- 444.97680 173.9
[M+Na-2H]- 406.93762 167.2
[M]+ 385.96240 191.4
[M]- 385.96350 191.4
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

patents stripe