CID 10270833

Schembl11199314

Structural Information

Molecular Formula
C19H29N5O3
SMILES
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)C3=NC=C(C=N3)O)C
InChI
InChI=1S/C19H29N5O3/c1-19(2)11-16(26)24(17(27)12-19)6-4-3-5-22-7-9-23(10-8-22)18-20-13-15(25)14-21-18/h13-14,25H,3-12H2,1-2H3
InChIKey
FPIFDKJZXXMJRK-UHFFFAOYSA-N
Compound name
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

5
Patents

375.22705 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23433 196.6
[M+Na]+ 398.21627 201.5
[M-H]- 374.21977 196.9
[M+NH4]+ 393.26087 202.5
[M+K]+ 414.19021 196.0
[M+H-H2O]+ 358.22431 184.1
[M+HCOO]- 420.22525 204.4
[M+CH3COO]- 434.24090 216.8
[M+Na-2H]- 396.20172 195.3
[M]+ 375.22650 191.9
[M]- 375.22760 191.9
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