CID 379112

Nsc663326

Structural Information

Molecular Formula
C15H16FN3O2
SMILES
CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3CCCCNC3=O
InChI
InChI=1S/C15H16FN3O2/c1-9-18-11-6-4-5-10(16)13(11)15(21)19(9)12-7-2-3-8-17-14(12)20/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)
InChIKey
DTURRAGYOGBRAU-UHFFFAOYSA-N
Compound name
5-fluoro-2-methyl-3-(2-oxoazepan-3-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12265 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12993 164.4
[M+Na]+ 312.11187 172.6
[M-H]- 288.11537 166.9
[M+NH4]+ 307.15647 175.8
[M+K]+ 328.08581 171.2
[M+H-H2O]+ 272.11991 154.1
[M+HCOO]- 334.12085 177.8
[M+CH3COO]- 348.13650 173.9
[M+Na-2H]- 310.09732 167.0
[M]+ 289.12210 157.7
[M]- 289.12320 157.7
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.