CID 36315

33074-61-2

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]+ 346.176126 179.9
[M+Na]+ 368.158068 186.2
[M-H]- 344.161574 182.5
[M+NH4]+ 363.202673 191.6
[M+K]+ 384.132008 182.5
[M+H-H2O]+ 328.166110 172.0
[M+HCOO]- 390.167051 195.1
[M+CH3COO]- 404.182701 215.8
[M+Na-2H]- 366.143516 179.0
[M]+ 345.16830142 178.8
[M]- 345.16939858 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.