CID 206504

50332-12-2

Structural Information

Molecular Formula
C19H14FNO3
SMILES
C1CC2=C(C1)N(C3=CC4=C(C=C23)OCO4)C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C19H14FNO3/c20-12-6-4-11(5-7-12)19(22)21-15-3-1-2-13(15)14-8-17-18(9-16(14)21)24-10-23-17/h4-9H,1-3,10H2
InChIKey
LRHITLXORUKBQB-UHFFFAOYSA-N
Compound name
4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10304 170.9
[M+Na]+ 346.08498 181.6
[M-H]- 322.08848 180.6
[M+NH4]+ 341.12958 189.6
[M+K]+ 362.05892 178.7
[M+H-H2O]+ 306.09302 165.4
[M+HCOO]- 368.09396 189.3
[M+CH3COO]- 382.10961 183.7
[M+Na-2H]- 344.07043 171.2
[M]+ 323.09521 174.4
[M]- 323.09631 174.4
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.