CID 853099

108086-41-5

Structural Information

Molecular Formula
C17H15N3O3
SMILES
COC1=CC=CC(=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15N3O3/c1-23-13-6-4-5-12(9-13)19-16(21)10-20-11-18-15-8-3-2-7-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)
InChIKey
CXTMXLGYEAHONQ-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.2
[M+Na]+ 332.10055 178.6
[M-H]- 308.10405 175.4
[M+NH4]+ 327.14515 182.6
[M+K]+ 348.07449 174.0
[M+H-H2O]+ 292.10859 160.0
[M+HCOO]- 354.10953 191.5
[M+CH3COO]- 368.12518 207.5
[M+Na-2H]- 330.08600 177.1
[M]+ 309.11078 172.5
[M]- 309.11188 172.5
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.