CID 16745944

Am001

Structural Information

Molecular Formula
C19H19N3O5
SMILES
C#CCO[C@@H]1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O5/c1-2-10-26-14-11-17(27-15(14)12-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13/h1,3-9,14-15,17,23H,10-12H2,(H,20,21,24,25)/t14-,15-,17-/m1/s1
InChIKey
VUDFTOHJBXWAGS-BFYDXBDKSA-N
Compound name
N-[1-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1
Patents

369.13248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13976 184.6
[M+Na]+ 392.12170 192.6
[M-H]- 368.12520 187.4
[M+NH4]+ 387.16630 191.3
[M+K]+ 408.09564 187.2
[M+H-H2O]+ 352.12974 168.1
[M+HCOO]- 414.13068 196.8
[M+CH3COO]- 428.14633 218.8
[M+Na-2H]- 390.10715 183.4
[M]+ 369.13193 179.4
[M]- 369.13303 179.4
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

patents stripe