CID 12612564

5320-25-2

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C12H17N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-5H,1-2,6-9H2,3H3
InChIKey
ZIJDEADTCQKATN-UHFFFAOYSA-N
Compound name
1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

251.127 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 157.3
[M+Na]+ 274.11622 170.5
[M+NH4]+ 269.16082 161.3
[M+K]+ 290.09016 164.5
[M-H]- 250.11972 155.4
[M+Na-2H]- 272.10167 160.5
[M]+ 251.12645 158.3
[M]- 251.12755 158.3
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

patents stripe