CID 508370

(6s)-3-benzyl-1-cyclopropyl-6-[(6s)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hexahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H30N2O6
SMILES
CC1(OC2[C@H](C(OC2O1)[C@@H]3CC(=O)N(C(=O)N3C4CC4)CC5=CC=CC=C5)OC6=CC=CC=C6)C
InChI
InChI=1S/C27H30N2O6/c1-27(2)34-24-23(32-19-11-7-4-8-12-19)22(33-25(24)35-27)20-15-21(30)28(16-17-9-5-3-6-10-17)26(31)29(20)18-13-14-18/h3-12,18,20,22-25H,13-16H2,1-2H3/t20-,22?,23-,24?,25?/m0/s1
InChIKey
SCXVPRARQVHEIR-XSSHQBQMSA-N
Compound name
(6S)-3-benzyl-1-cyclopropyl-6-[(6S)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.2104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21768 211.0
[M+Na]+ 501.19962 218.5
[M-H]- 477.20312 226.3
[M+NH4]+ 496.24422 213.4
[M+K]+ 517.17356 217.4
[M+H-H2O]+ 461.20766 203.2
[M+HCOO]- 523.20860 221.4
[M+CH3COO]- 537.22425 219.0
[M+Na-2H]- 499.18507 206.0
[M]+ 478.20985 215.3
[M]- 478.21095 215.3
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.