CID 3038963

42021-36-3

Structural Information

Molecular Formula
C23H24FN3O
SMILES
C1CN2CC3=C(CC2CN1CCC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3
InChI
InChI=1S/C23H24FN3O/c24-17-7-5-16(6-8-17)23(28)9-10-26-11-12-27-15-22-20(13-18(27)14-26)19-3-1-2-4-21(19)25-22/h1-8,18,25H,9-15H2
InChIKey
MVJHQHNNTUMNRV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19762 193.2
[M+Na]+ 400.17956 206.6
[M+NH4]+ 395.22416 200.9
[M+K]+ 416.15350 199.3
[M-H]- 376.18306 195.7
[M+Na-2H]- 398.16501 197.1
[M]+ 377.18979 195.7
[M]- 377.19089 195.7
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.