CID 453752

Bdbm50279829

Structural Information

Molecular Formula
C15H19F3N3O4P
SMILES
C1C[C@H](N(C1)P(=O)(C(CC2=CC=CC=C2)NC(=O)C(F)(F)F)O)C(=O)N
InChI
InChI=1S/C15H19F3N3O4P/c16-15(17,18)14(23)20-12(9-10-5-2-1-3-6-10)26(24,25)21-8-4-7-11(21)13(19)22/h1-3,5-6,11-12H,4,7-9H2,(H2,19,22)(H,20,23)(H,24,25)/t11-,12?/m0/s1
InChIKey
QFJVYDUPRQCEGG-PXYINDEMSA-N
Compound name
[(2S)-2-carbamoylpyrrolidin-1-yl]-[2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11382 184.9
[M+Na]+ 416.09576 187.0
[M-H]- 392.09926 182.7
[M+NH4]+ 411.14036 194.5
[M+K]+ 432.06970 184.8
[M+H-H2O]+ 376.10380 172.7
[M+HCOO]- 438.10474 202.4
[M+CH3COO]- 452.12039 219.5
[M+Na-2H]- 414.08121 181.2
[M]+ 393.10599 176.8
[M]- 393.10709 176.8
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.