CID 206447

Brn 5326811

Structural Information

Molecular Formula
C30H30FN3O
SMILES
C1CN2[C@@H](CC3=C([C@@H]2C4=CC=CC=C4)NC5=CC=CC=C35)CN1CCCC(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H30FN3O/c31-23-14-12-21(13-15-23)28(35)11-6-16-33-17-18-34-24(20-33)19-26-25-9-4-5-10-27(25)32-29(26)30(34)22-7-2-1-3-8-22/h1-5,7-10,12-15,24,30,32H,6,11,16-20H2/t24-,30-/m0/s1
InChIKey
ISZXBPJJMGOAIU-NGQVCNFZSA-N
Compound name
1-(4-fluorophenyl)-4-[(2S,8S)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.2373 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24458 219.6
[M+Na]+ 490.22652 234.6
[M+NH4]+ 485.27112 227.1
[M+K]+ 506.20046 225.5
[M-H]- 466.23002 224.7
[M+Na-2H]- 488.21197 225.1
[M]+ 467.23675 223.2
[M]- 467.23785 223.2
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.