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]+ 585.27388 237.6
[M+Na]+ 607.25582 245.1
[M-H]- 583.25932 245.2
[M+NH4]+ 602.30042 247.7
[M+K]+ 623.22976 235.8
[M+H-H2O]+ 567.26386 223.8
[M+HCOO]- 629.26480 243.3
[M+CH3COO]- 643.28045 241.8
[M+Na-2H]- 605.24127 229.1
[M]+ 584.26605 231.3
[M]- 584.26715 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.