CID 135484754

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

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1=CC=C2C=C(C=CC2=C1)CCC3=CC4=C(N3)N=C(NC4=O)N
InChI
InChI=1S/C18H16N4O/c19-18-21-16-15(17(23)22-18)10-14(20-16)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9-10H,6,8H2,(H4,19,20,21,22,23)
InChIKey
VXCLBFQKBTVKIF-UHFFFAOYSA-N
Compound name
2-amino-6-(2-naphthalen-2-ylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 170.3
[M+Na]+ 327.12164 181.0
[M-H]- 303.12514 173.0
[M+NH4]+ 322.16624 183.4
[M+K]+ 343.09558 172.0
[M+H-H2O]+ 287.12968 161.1
[M+HCOO]- 349.13062 188.7
[M+CH3COO]- 363.14627 180.6
[M+Na-2H]- 325.10709 176.3
[M]+ 304.13187 169.2
[M]- 304.13297 169.2
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.