CID 5274313

Cyclohexyl n-[[(4r,6r)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonyl]carbamate

Structural Information

Molecular Formula
C19H27N3O10S
SMILES
CC1(OC2[C@H](O[C@H](C2O1)N3C=CC(=O)NC3=O)COS(=O)(=O)NC(=O)OC4CCCCC4)C
InChI
InChI=1S/C19H27N3O10S/c1-19(2)31-14-12(30-16(15(14)32-19)22-9-8-13(23)20-17(22)24)10-28-33(26,27)21-18(25)29-11-6-4-3-5-7-11/h8-9,11-12,14-16H,3-7,10H2,1-2H3,(H,21,25)(H,20,23,24)/t12-,14?,15?,16-/m1/s1
InChIKey
ROQWOLOZNRTWAM-TWRYWWQQSA-N
Compound name
cyclohexyl N-[[(4R,6R)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxysulfonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.14172 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.14900 203.1
[M+Na]+ 512.13094 207.3
[M-H]- 488.13444 211.3
[M+NH4]+ 507.17554 209.0
[M+K]+ 528.10488 209.7
[M+H-H2O]+ 472.13898 198.9
[M+HCOO]- 534.13992 209.7
[M+CH3COO]- 548.15557 231.3
[M+Na-2H]- 510.11639 204.6
[M]+ 489.14117 208.4
[M]- 489.14227 208.4
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.