CID 504294

N-[1-[(2s)-8,8-dimethyl-3,7,9-trioxaspiro[4.4]nonan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CC1(OCC2(O1)C[C@H](OC2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C19H21N3O5/c1-18(2)26-12-19(27-18)10-15(25-11-19)22-9-8-14(21-17(22)24)20-16(23)13-6-4-3-5-7-13/h3-9,15H,10-12H2,1-2H3,(H,20,21,23,24)/t15-,19?/m0/s1
InChIKey
JSVVUJZKVCURAU-FUKCDUGKSA-N
Compound name
N-[1-[(8S)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.14813 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 182.7
[M+Na]+ 394.13735 190.1
[M-H]- 370.14085 194.4
[M+NH4]+ 389.18195 195.0
[M+K]+ 410.11129 190.5
[M+H-H2O]+ 354.14539 174.9
[M+HCOO]- 416.14633 199.7
[M+CH3COO]- 430.16198 193.6
[M+Na-2H]- 392.12280 185.2
[M]+ 371.14758 184.4
[M]- 371.14868 184.4
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

No patent data available for this compound.