CID 135400949

2-amino-6-[2-(4-methoxyphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C15H16N4O2
SMILES
COC1=CC=C(C=C1)CCC2=CC3=C(N2)N=C(NC3=O)N
InChI
InChI=1S/C15H16N4O2/c1-21-11-6-3-9(4-7-11)2-5-10-8-12-13(17-10)18-15(16)19-14(12)20/h3-4,6-8H,2,5H2,1H3,(H4,16,17,18,19,20)
InChIKey
GTHPDWLLXZWQSZ-UHFFFAOYSA-N
Compound name
2-amino-6-[2-(4-methoxyphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12732 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13460 164.7
[M+Na]+ 307.11654 175.2
[M-H]- 283.12004 166.6
[M+NH4]+ 302.16114 177.8
[M+K]+ 323.09048 168.2
[M+H-H2O]+ 267.12458 155.9
[M+HCOO]- 329.12552 184.7
[M+CH3COO]- 343.14117 175.6
[M+Na-2H]- 305.10199 169.3
[M]+ 284.12677 165.1
[M]- 284.12787 165.1
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.