CID 208434

32150-70-2

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCC(C)NC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C16H21N3O2/c1-5-11(2)17-14-12(3)18(4)16(21)19(15(14)20)13-9-7-6-8-10-13/h6-11,17H,5H2,1-4H3
InChIKey
ZNNFDLJQLKVLRQ-UHFFFAOYSA-N
Compound name
5-(butan-2-ylamino)-1,6-dimethyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 167.3
[M+Na]+ 310.152618 177.0
[M-H]- 286.156124 172.4
[M+NH4]+ 305.197223 180.7
[M+K]+ 326.126558 172.6
[M+H-H2O]+ 270.160660 158.3
[M+HCOO]- 332.161601 189.1
[M+CH3COO]- 346.177251 207.8
[M+Na-2H]- 308.138066 169.9
[M]+ 287.16285142 170.2
[M]- 287.16394858 170.2
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.