CID 155907712

Xe4u8yz8xj

Structural Information

Molecular Formula
C33H33F2N5O3
SMILES
C[C@]1(CN(C2(CCCC2)C(=O)N1CC(=O)NC3=CC4=C(C[C@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)[11CH3])C7=CC(=CC(=C7)F)F
InChI
InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32-/m0/s1/i2-1
InChIKey
WYWHBLFVASSGIJ-YUUWNJLSSA-N
Compound name
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-(111C)methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.2666 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.273876 237.6
[M+Na]+ 607.255818 245.1
[M-H]- 583.259324 245.2
[M+NH4]+ 602.300423 247.7
[M+K]+ 623.229758 235.8
[M+H-H2O]+ 567.263860 223.8
[M+HCOO]- 629.264801 243.3
[M+CH3COO]- 643.280451 241.8
[M+Na-2H]- 605.241266 229.1
[M]+ 584.26605142 231.3
[M]- 584.26714858 231.3
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.