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

11
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.