CID 36315

Brn 0705086

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CC(CC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)N(C)C)CC=C)O
InChI
InChI=1S/C18H23N3O4/c1-5-10-18(11-12(2)22)15(23)19-17(25)21(16(18)24)14-8-6-13(7-9-14)20(3)4/h5-9,12,22H,1,10-11H2,2-4H3,(H,19,23,25)
InChIKey
WLTCFWIYQHMPBR-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-5-(2-hydroxypropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 179.9
[M+Na]+ 368.15807 186.2
[M-H]- 344.16157 182.5
[M+NH4]+ 363.20267 191.6
[M+K]+ 384.13201 182.5
[M+H-H2O]+ 328.16611 172.0
[M+HCOO]- 390.16705 195.1
[M+CH3COO]- 404.18270 215.8
[M+Na-2H]- 366.14352 179.0
[M]+ 345.16830 178.8
[M]- 345.16940 178.8
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

No patent data available for this compound.