CID 5182810

98994-14-0

Structural Information

Molecular Formula
C10H7Cl2N3O2
SMILES
C1=C(C=C(C2=C1C(=O)N(C=N2)CC(=O)N)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3O2/c11-5-1-6-9(7(12)2-5)14-4-15(10(6)17)3-8(13)16/h1-2,4H,3H2,(H2,13,16)
InChIKey
MOKGOCYVVZLWBX-UHFFFAOYSA-N
Compound name
2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.99155 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99883 152.0
[M+Na]+ 293.98077 164.3
[M-H]- 269.98427 153.6
[M+NH4]+ 289.02537 168.0
[M+K]+ 309.95471 158.3
[M+H-H2O]+ 253.98881 146.0
[M+HCOO]- 315.98975 163.8
[M+CH3COO]- 330.00540 197.8
[M+Na-2H]- 291.96622 157.0
[M]+ 270.99100 155.9
[M]- 270.99210 155.9
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.