CID 452982

134450-38-7

Structural Information

Molecular Formula
C30H33F2N3O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(CCC2=CC=CC=C2)(F)F)NC(=O)OCC3=CC=CC=N3
InChI
InChI=1S/C30H33F2N3O4/c1-21(2)26(35-29(38)39-20-24-15-9-10-18-33-24)28(37)34-25(19-23-13-7-4-8-14-23)27(36)30(31,32)17-16-22-11-5-3-6-12-22/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,34,37)(H,35,38)/t25-,26-/m0/s1
InChIKey
ZPPWWEWSNPUFSA-UIOOFZCWSA-N
Compound name
pyridin-2-ylmethyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

537.2439 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.25118 228.9
[M+Na]+ 560.23312 226.8
[M-H]- 536.23662 232.1
[M+NH4]+ 555.27772 229.8
[M+K]+ 576.20706 223.1
[M+H-H2O]+ 520.24116 215.2
[M+HCOO]- 582.24210 241.3
[M+CH3COO]- 596.25775 252.2
[M+Na-2H]- 558.21857 226.0
[M]+ 537.24335 226.8
[M]- 537.24445 226.8
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.