CID 3086946

Brn 5157143

Structural Information

Molecular Formula
C21H14ClFN2O4
SMILES
COC1=C(C(=O)N2C3=C(C=C(C=C3)Cl)C(=NC2=C1)C4=CC=CC=C4F)C(=O)OC
InChI
InChI=1S/C21H14ClFN2O4/c1-28-16-10-17-24-19(12-5-3-4-6-14(12)23)13-9-11(22)7-8-15(13)25(17)20(26)18(16)21(27)29-2/h3-10H,1-2H3
InChIKey
HVTDWJLPSPRRNR-UHFFFAOYSA-N
Compound name
methyl 8-chloro-6-(2-fluorophenyl)-3-methoxy-1-oxopyrido[1,2-a]quinazoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.06262 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06990 193.4
[M+Na]+ 435.05184 207.1
[M-H]- 411.05534 199.3
[M+NH4]+ 430.09644 204.5
[M+K]+ 451.02578 200.3
[M+H-H2O]+ 395.05988 182.2
[M+HCOO]- 457.06082 207.4
[M+CH3COO]- 471.07647 204.1
[M+Na-2H]- 433.03729 197.5
[M]+ 412.06207 202.1
[M]- 412.06317 202.1
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.