CID 3053760

70384-98-4

Structural Information

Molecular Formula
C15H17FN2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)F
InChI
InChI=1S/C15H17FN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)
InChIKey
PJQIXDCHZJOASS-UHFFFAOYSA-N
Compound name
6-fluoro-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1274 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13468 163.8
[M+Na]+ 299.11662 171.1
[M-H]- 275.12012 164.6
[M+NH4]+ 294.16122 179.7
[M+K]+ 315.09056 166.6
[M+H-H2O]+ 259.12466 153.4
[M+HCOO]- 321.12560 171.8
[M+CH3COO]- 335.14125 172.9
[M+Na-2H]- 297.10207 168.8
[M]+ 276.12685 157.1
[M]- 276.12795 157.1
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.