CID 7317338

2416218-93-2

Structural Information

Molecular Formula
C27H25FN2O
SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)N[C@@H]3C6=CC=CC=C6
InChI
InChI=1S/C27H25FN2O/c28-20-9-11-21(12-10-20)29-27(31)19-8-13-23-22(15-19)24-17-6-7-18(14-17)25(24)26(30-23)16-4-2-1-3-5-16/h1-5,8-13,15,17-18,24-26,30H,6-7,14H2,(H,29,31)/t17-,18+,24-,25-,26+/m0/s1
InChIKey
JWMCNGZAHWTGLW-HORIQJFKSA-N
Compound name
(1S,2R,10S,11S,12R)-N-(4-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1951 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20238 200.9
[M+Na]+ 435.18432 213.0
[M+NH4]+ 430.22892 210.1
[M+K]+ 451.15826 207.1
[M-H]- 411.18782 206.1
[M+Na-2H]- 433.16977 204.5
[M]+ 412.19455 204.0
[M]- 412.19565 204.0
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.