CID 18770867

2-(2-chloroquinazolin-4-yl)acetamide

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)Cl)CC(=O)N
InChI
InChI=1S/C10H8ClN3O/c11-10-13-7-4-2-1-3-6(7)8(14-10)5-9(12)15/h1-4H,5H2,(H2,12,15)
InChIKey
HBENSHGDVIJNBK-UHFFFAOYSA-N
Compound name
2-(2-chloroquinazolin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

221.03558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.042856 144.3
[M+Na]+ 244.024798 154.6
[M-H]- 220.028304 145.9
[M+NH4]+ 239.069403 161.6
[M+K]+ 259.998738 149.5
[M+H-H2O]+ 204.032840 137.4
[M+HCOO]- 266.033781 161.0
[M+CH3COO]- 280.049431 189.4
[M+Na-2H]- 242.010246 151.7
[M]+ 221.03503142 145.6
[M]- 221.03612858 145.6
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