CID 502185

(2-pyridin-2-yl-ethyl)-carbamic acid (2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-2,5-dihydro-furan-2-ylmethyl ester

Structural Information

Molecular Formula
C18H20N4O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=CC=N3
InChI
InChI=1S/C18H20N4O5/c1-12-10-22(17(24)21-16(12)23)15-6-5-14(27-15)11-26-18(25)20-9-7-13-4-2-3-8-19-13/h2-6,8,10,14-15H,7,9,11H2,1H3,(H,20,25)(H,21,23,24)/t14-,15+/m0/s1
InChIKey
ADPZJEQZSZKBDJ-LSDHHAIUSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-(2-pyridin-2-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.14337 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15065 185.8
[M+Na]+ 395.13259 193.0
[M-H]- 371.13609 191.6
[M+NH4]+ 390.17719 192.9
[M+K]+ 411.10653 189.3
[M+H-H2O]+ 355.14063 175.0
[M+HCOO]- 417.14157 204.4
[M+CH3COO]- 431.15722 214.1
[M+Na-2H]- 393.11804 187.2
[M]+ 372.14282 188.2
[M]- 372.14392 188.2
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.