CID 16727688

2-imidazolidinone, 3-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-4-hydroxy-1-[4-(1h-tetrazol-1-yl)phenyl]-

Structural Information

Molecular Formula
C22H21F2N9O3
SMILES
CC([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(CN(C3=O)C4=CC=C(C=C4)N5C=NN=N5)O
InChI
InChI=1S/C22H21F2N9O3/c1-14(22(36,10-30-12-25-11-27-30)18-7-2-15(23)8-19(18)24)33-20(34)9-31(21(33)35)16-3-5-17(6-4-16)32-13-26-28-29-32/h2-8,11-14,20,34,36H,9-10H2,1H3/t14?,20?,22-/m1/s1
InChIKey
VRNGGLOYJOFGFW-RKAKBXOYSA-N
Compound name
3-[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-hydroxy-1-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

497.17355 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.18083 207.5
[M+Na]+ 520.16277 215.8
[M-H]- 496.16627 211.2
[M+NH4]+ 515.20737 206.0
[M+K]+ 536.13671 208.3
[M+H-H2O]+ 480.17081 194.1
[M+HCOO]- 542.17175 214.7
[M+CH3COO]- 556.18740 212.7
[M+Na-2H]- 518.14822 201.9
[M]+ 497.17300 206.6
[M]- 497.17410 206.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.