CID 218589

Brn 0814120

Structural Information

Molecular Formula
C11H11BrN4O2
SMILES
CC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC(=O)NN
InChI
InChI=1S/C11H11BrN4O2/c1-6-14-9-3-2-7(12)4-8(9)11(18)16(6)5-10(17)15-13/h2-4H,5,13H2,1H3,(H,15,17)
InChIKey
MGTHGQKWDWVBRN-UHFFFAOYSA-N
Compound name
2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.00653 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01381 156.8
[M+Na]+ 332.99575 169.1
[M-H]- 308.99925 161.5
[M+NH4]+ 328.04035 173.3
[M+K]+ 348.96969 156.7
[M+H-H2O]+ 293.00379 154.4
[M+HCOO]- 355.00473 176.5
[M+CH3COO]- 369.02038 206.0
[M+Na-2H]- 330.98120 163.9
[M]+ 310.00598 175.5
[M]- 310.00708 175.5
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.