CID 3069752

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

Structural Information

Molecular Formula
C20H16N4O3S
SMILES
C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=NC=CS4
InChI
InChI=1S/C20H16N4O3S/c25-18(23-20-21-10-11-28-20)12-24-17(13-27-14-6-2-1-3-7-14)22-16-9-5-4-8-15(16)19(24)26/h1-11H,12-13H2,(H,21,23,25)
InChIKey
SQGHCFZUYOTGGE-UHFFFAOYSA-N
Compound name
2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10158 189.2
[M+Na]+ 415.08352 199.0
[M-H]- 391.08702 197.0
[M+NH4]+ 410.12812 199.2
[M+K]+ 431.05746 192.3
[M+H-H2O]+ 375.09156 179.0
[M+HCOO]- 437.09250 207.0
[M+CH3COO]- 451.10815 199.3
[M+Na-2H]- 413.06897 193.1
[M]+ 392.09375 195.1
[M]- 392.09485 195.1
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.