CID 157010715

Fmpep-d2 f-18

Structural Information

Molecular Formula
C26H24F4N2O2
SMILES
[2H]C(OC1=CC=CC(=C1)[C@H]2C[C@H](C(=O)N2C3=CC=C(C=C3)C(F)(F)F)N[C@H](C)C4=CC=CC=C4)[18F]
InChI
InChI=1S/C26H24F4N2O2/c1-17(18-6-3-2-4-7-18)31-23-15-24(19-8-5-9-22(14-19)34-16-27)32(25(23)33)21-12-10-20(11-13-21)26(28,29)30/h2-14,17,23-24,31H,15-16H2,1H3/t17-,23-,24-/m1/s1/i16D,27-1/t16?,17-,23-,24-
InChIKey
VIZNNWKKQKFIOX-WYXWOLHPSA-N
Compound name
(3R,5R)-5-[3-[deuterio(fluoranyl)methoxy]phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1862 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19348 213.3
[M+Na]+ 495.17542 218.2
[M-H]- 471.17892 219.1
[M+NH4]+ 490.22002 220.4
[M+K]+ 511.14936 211.2
[M+H-H2O]+ 455.18346 198.8
[M+HCOO]- 517.18440 226.4
[M+CH3COO]- 531.20005 238.8
[M+Na-2H]- 493.16087 208.5
[M]+ 472.18565 207.4
[M]- 472.18675 207.4
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.