CID 86572606

2-[(1s,9ar)-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-1-yl]-n-[4-[5-(trifluoromethyl)-1h-benzimidazol-2-yl]phenyl]acetamide

Structural Information

Molecular Formula
C25H27F3N4O
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C25H27F3N4O/c26-25(27,28)18-8-11-20-21(15-18)31-24(30-20)16-6-9-19(10-7-16)29-23(33)14-17-4-3-13-32-12-2-1-5-22(17)32/h6-11,15,17,22H,1-5,12-14H2,(H,29,33)(H,30,31)/t17-,22+/m0/s1
InChIKey
HZNVHTUHTRHUNY-HTAPYJJXSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.21368 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22096 208.7
[M+Na]+ 479.20290 212.9
[M-H]- 455.20640 209.6
[M+NH4]+ 474.24750 215.1
[M+K]+ 495.17684 203.7
[M+H-H2O]+ 439.21094 194.5
[M+HCOO]- 501.21188 214.8
[M+CH3COO]- 515.22753 213.1
[M+Na-2H]- 477.18835 207.6
[M]+ 456.21313 198.6
[M]- 456.21423 198.6
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.