CID 89887924

1499193-67-7

Structural Information

Molecular Formula
C35H32F2N6
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2)C3=NC4=C(N3)C=C(C=C4)C5=CC6=C(C=C5)C7=C(C6(F)F)C=C(C=C7)C8=CN=C(N8)[C@@H]9CC1(CC1)CN9
InChI
InChI=1S/C35H32F2N6/c36-35(37)25-12-18(19-4-8-27-28(14-19)42-33(41-27)31-21-1-5-22(11-21)40-31)2-6-23(25)24-7-3-20(13-26(24)35)30-16-38-32(43-30)29-15-34(9-10-34)17-39-29/h2-4,6-8,12-14,16,21-22,29,31,39-40H,1,5,9-11,15,17H2,(H,38,43)(H,41,42)/t21-,22+,29-,31-/m0/s1
InChIKey
DKMCUKSJHIRAKX-OSBOVTLVSA-N
Compound name
2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-6-[7-[2-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1H-imidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

574.2656 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.27288 202.6
[M+Na]+ 597.25482 212.7
[M-H]- 573.25832 212.6
[M+NH4]+ 592.29942 210.8
[M+K]+ 613.22876 202.0
[M+H-H2O]+ 557.26286 196.2
[M+HCOO]- 619.26380 207.8
[M+CH3COO]- 633.27945 208.4
[M+Na-2H]- 595.24027 189.0
[M]+ 574.26505 201.2
[M]- 574.26615 201.2
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

patents stripe