CID 10222057

Schembl13627982

Structural Information

Molecular Formula
C19H29N5O4
SMILES
CC1(CC(=O)N(C(=O)C1O)CCCCN2CCN(CC2)C3=NC=C(C=N3)O)C
InChI
InChI=1S/C19H29N5O4/c1-19(2)11-15(26)24(17(28)16(19)27)6-4-3-5-22-7-9-23(10-8-22)18-20-12-14(25)13-21-18/h12-13,16,25,27H,3-11H2,1-2H3
InChIKey
QQMVSPAEOUEOLJ-UHFFFAOYSA-N
Compound name
3-hydroxy-1-[4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]butyl]-4,4-dimethylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

391.22195 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22923 200.1
[M+Na]+ 414.21117 205.3
[M-H]- 390.21467 199.5
[M+NH4]+ 409.25577 204.8
[M+K]+ 430.18511 199.7
[M+H-H2O]+ 374.21921 188.3
[M+HCOO]- 436.22015 206.5
[M+CH3COO]- 450.23580 218.2
[M+Na-2H]- 412.19662 197.9
[M]+ 391.22140 195.6
[M]- 391.22250 195.6
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.