CID 135449089

2-amino-6-[2-(4-methylphenyl)ethyl]-3-hydropyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C15H16N4O
SMILES
CC1=CC=C(C=C1)CCC2=CC3=C(N2)N=C(NC3=O)N
InChI
InChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)6-7-11-8-12-13(17-11)18-15(16)19-14(12)20/h2-5,8H,6-7H2,1H3,(H4,16,17,18,19,20)
InChIKey
FSMLONPMWSVMKK-UHFFFAOYSA-N
Compound name
2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 162.0
[M+Na]+ 291.12164 172.8
[M-H]- 267.12514 164.0
[M+NH4]+ 286.16624 175.9
[M+K]+ 307.09558 165.1
[M+H-H2O]+ 251.12968 153.4
[M+HCOO]- 313.13062 181.9
[M+CH3COO]- 327.14627 173.1
[M+Na-2H]- 289.10709 166.6
[M]+ 268.13187 161.1
[M]- 268.13297 161.1
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.