CID 394272

Nsc697598

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCCCO)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H26N2O4/c1-4-16-17(11-15-9-13(2)8-14(3)10-15)21(12-25-7-5-6-22)19(24)20-18(16)23/h8-10,22H,4-7,11-12H2,1-3H3,(H,20,23,24)
InChIKey
BLOHYBLUCVVKST-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(3-hydroxypropoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

346.18927 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 183.4
[M+Na]+ 369.17849 192.4
[M-H]- 345.18199 185.3
[M+NH4]+ 364.22309 193.4
[M+K]+ 385.15243 186.6
[M+H-H2O]+ 329.18653 174.2
[M+HCOO]- 391.18747 201.3
[M+CH3COO]- 405.20312 211.6
[M+Na-2H]- 367.16394 183.5
[M]+ 346.18872 188.1
[M]- 346.18982 188.1
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.