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

literature stripe

Patent stripe

patents stripe