CID 3060236

Brn 4574578

Structural Information

Molecular Formula
C23H24FN3O
SMILES
C1C2CN(CN2CC3=C1C4=CC=CC=C4N3)CCCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H24FN3O/c24-17-9-7-16(8-10-17)23(28)6-3-11-26-13-18-12-20-19-4-1-2-5-21(19)25-22(20)14-27(18)15-26/h1-2,4-5,7-10,18,25H,3,6,11-15H2
InChIKey
HERRYSYBTZTHQW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19034 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19762 191.5
[M+Na]+ 400.17956 198.7
[M-H]- 376.18306 194.2
[M+NH4]+ 395.22416 204.9
[M+K]+ 416.15350 190.3
[M+H-H2O]+ 360.18760 180.8
[M+HCOO]- 422.18854 203.4
[M+CH3COO]- 436.20419 199.4
[M+Na-2H]- 398.16501 189.8
[M]+ 377.18979 189.0
[M]- 377.19089 189.0
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.