CID 3046281

N-acetylafloqualone

Structural Information

Molecular Formula
C18H16FN3O2
SMILES
CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C)CF
InChI
InChI=1S/C18H16FN3O2/c1-11-5-3-4-6-16(11)22-17(10-19)21-15-8-7-13(20-12(2)23)9-14(15)18(22)24/h3-9H,10H2,1-2H3,(H,20,23)
InChIKey
WHCHGOLNOQKQIW-UHFFFAOYSA-N
Compound name
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.12265 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.129926 176.0
[M+Na]+ 348.111868 186.1
[M-H]- 324.115374 180.4
[M+NH4]+ 343.156473 188.4
[M+K]+ 364.085808 180.1
[M+H-H2O]+ 308.119910 165.3
[M+HCOO]- 370.120851 195.6
[M+CH3COO]- 384.136501 213.4
[M+Na-2H]- 346.097316 180.1
[M]+ 325.12210142 177.1
[M]- 325.12319858 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.