CID 63274

4(3h)-quinazolinone, 2-((4-nitrophenoxy)methyl)-3-(2-pyridinyl)-

Structural Information

Molecular Formula
C20H14N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4
InChI
InChI=1S/C20H14N4O4/c25-20-16-5-1-2-6-17(16)22-19(23(20)18-7-3-4-12-21-18)13-28-15-10-8-14(9-11-15)24(26)27/h1-12H,13H2
InChIKey
NGBLLQIBGMTADF-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10878 186.6
[M+Na]+ 397.09072 193.8
[M-H]- 373.09422 193.5
[M+NH4]+ 392.13532 193.4
[M+K]+ 413.06466 183.6
[M+H-H2O]+ 357.09876 178.0
[M+HCOO]- 419.09970 206.5
[M+CH3COO]- 433.11535 211.8
[M+Na-2H]- 395.07617 196.0
[M]+ 374.10095 186.6
[M]- 374.10205 186.6
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

No patent data available for this compound.