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]+ 326.12993 176.0
[M+Na]+ 348.11187 186.1
[M-H]- 324.11537 180.4
[M+NH4]+ 343.15647 188.4
[M+K]+ 364.08581 180.1
[M+H-H2O]+ 308.11991 165.3
[M+HCOO]- 370.12085 195.6
[M+CH3COO]- 384.13650 213.4
[M+Na-2H]- 346.09732 180.1
[M]+ 325.12210 177.1
[M]- 325.12320 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.