CID 452905

6phnh-1(2ohetome)t

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)NC2=CC=CC=C2
InChI
InChI=1S/C14H17N3O4/c1-10-12(15-11-5-3-2-4-6-11)17(9-21-8-7-18)14(20)16-13(10)19/h2-6,15,18H,7-9H2,1H3,(H,16,19,20)
InChIKey
FZKMPUDJKKHNPC-UHFFFAOYSA-N
Compound name
6-anilino-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 164.8
[M+Na]+ 314.11114 173.4
[M-H]- 290.11464 166.9
[M+NH4]+ 309.15574 176.1
[M+K]+ 330.08508 168.5
[M+H-H2O]+ 274.11918 155.8
[M+HCOO]- 336.12012 185.6
[M+CH3COO]- 350.13577 199.4
[M+Na-2H]- 312.09659 169.6
[M]+ 291.12137 166.3
[M]- 291.12247 166.3
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

No patent data available for this compound.