CID 3069750

3(4h)-quinazolineacetamide, 2-((2-chlorophenoxy)methyl)-4-oxo-n-thiazolyl-

Structural Information

Molecular Formula
C20H15ClN4O3S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC=CC=C3Cl)CC(=O)NC4=NC=CS4
InChI
InChI=1S/C20H15ClN4O3S/c21-14-6-2-4-8-16(14)28-12-17-23-15-7-3-1-5-13(15)19(27)25(17)11-18(26)24-20-22-9-10-29-20/h1-10H,11-12H2,(H,22,24,26)
InChIKey
POMZGERJFZUTLP-UHFFFAOYSA-N
Compound name
2-[2-[(2-chlorophenoxy)methyl]-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.05533 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.06261 195.6
[M+Na]+ 449.04455 206.7
[M-H]- 425.04805 203.6
[M+NH4]+ 444.08915 205.3
[M+K]+ 465.01849 199.1
[M+H-H2O]+ 409.05259 185.9
[M+HCOO]- 471.05353 208.7
[M+CH3COO]- 485.06918 205.5
[M+Na-2H]- 447.03000 198.3
[M]+ 426.05478 204.1
[M]- 426.05588 204.1
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.