CID 379723

Nsc664698

Structural Information

Molecular Formula
C17H19N5O3
SMILES
CC(=O)NC(=O)NC1=NCCC(=O)N1CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H19N5O3/c1-11(23)20-17(25)21-16-18-8-6-15(24)22(16)9-7-12-10-19-14-5-3-2-4-13(12)14/h2-5,10,19H,6-9H2,1H3,(H2,18,20,21,23,25)
InChIKey
AVOMXQDNKGJRNJ-UHFFFAOYSA-N
Compound name
N-[[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1488 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15608 178.9
[M+Na]+ 364.13802 185.0
[M-H]- 340.14152 181.6
[M+NH4]+ 359.18262 189.6
[M+K]+ 380.11196 180.0
[M+H-H2O]+ 324.14606 169.2
[M+HCOO]- 386.14700 197.2
[M+CH3COO]- 400.16265 211.6
[M+Na-2H]- 362.12347 181.5
[M]+ 341.14825 177.4
[M]- 341.14935 177.4
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.