CID 13944

1031-90-9

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₄

SMILES

CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O

InChI

InChI=1S/C14H22N2O4/c1-2-3-4-11-12(18)15-14(20)16(13(11)19)9-5-7-10(17)8-6-9/h9-11,17H,2-8H2,1H3,(H,15,18,20)

InChIKey

IVELJTFCCSNMJA-UHFFFAOYSA-N

Compound name

5-butyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.15796 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.165236	168.1
[M+Na]+	305.147178	172.8
[M-H]-	281.150684	168.3
[M+NH4]+	300.191783	179.8
[M+K]+	321.121118	168.7
[M+H-H2O]+	265.155220	160.1
[M+HCOO]-	327.156161	179.3
[M+CH3COO]-	341.171811	196.9
[M+Na-2H]-	303.132626	165.8
[M]+	282.15741142	161.6
[M]-	282.15850858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe