CID 63636

4(3h)-quinazolinone, 2-((4-nitrophenyl)methoxy)-3-(2-thiazolyl)-

Structural Information

Molecular Formula
C18H12N4O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=NC=CS4
InChI
InChI=1S/C18H12N4O4S/c23-16-14-3-1-2-4-15(14)20-17(21(16)18-19-9-10-27-18)26-11-12-5-7-13(8-6-12)22(24)25/h1-10H,11H2
InChIKey
MSYVEKYINILWEM-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenyl)methoxy]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.05792 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06520 184.5
[M+Na]+ 403.04714 194.0
[M-H]- 379.05064 192.8
[M+NH4]+ 398.09174 194.2
[M+K]+ 419.02108 183.7
[M+H-H2O]+ 363.05518 178.6
[M+HCOO]- 425.05612 203.1
[M+CH3COO]- 439.07177 208.7
[M+Na-2H]- 401.03259 191.1
[M]+ 380.05737 188.2
[M]- 380.05847 188.2
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.