CID 135424789

2-amino-6-[2-(1h-indol-6-yl)ethyl]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C14H14N4O
SMILES
C1=CC(=CC2=C1C=CN2)CCC3=CC(=O)NC(=N3)N
InChI
InChI=1S/C14H14N4O/c15-14-17-11(8-13(19)18-14)4-2-9-1-3-10-5-6-16-12(10)7-9/h1,3,5-8,16H,2,4H2,(H3,15,17,18,19)
InChIKey
VRAZIAJSKFRSIP-UHFFFAOYSA-N
Compound name
2-amino-4-[2-(1H-indol-6-yl)ethyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

254.11676 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 156.5
[M+Na]+ 277.105978 166.8
[M-H]- 253.109484 158.2
[M+NH4]+ 272.150583 170.6
[M+K]+ 293.079918 159.3
[M+H-H2O]+ 237.114020 147.8
[M+HCOO]- 299.114961 176.7
[M+CH3COO]- 313.130611 167.7
[M+Na-2H]- 275.091426 162.4
[M]+ 254.11621142 154.8
[M]- 254.11730858 154.8
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

patents stripe