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]+ 271.998826 152.0
[M+Na]+ 293.980768 164.3
[M-H]- 269.984274 153.6
[M+NH4]+ 289.025373 168.0
[M+K]+ 309.954708 158.3
[M+H-H2O]+ 253.988810 146.0
[M+HCOO]- 315.989751 163.8
[M+CH3COO]- 330.005401 197.8
[M+Na-2H]- 291.966216 157.0
[M]+ 270.99100142 155.9
[M]- 270.99209858 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.