CID 215943

36855-54-6

Structural Information

Molecular Formula
C16H17N5O
SMILES
CC1=CC(=C(C(=C1C)C(=O)N2C=NC3=C(N=CN=C32)N)C)C
InChI
InChI=1S/C16H17N5O/c1-8-5-9(2)11(4)12(10(8)3)16(22)21-7-20-13-14(17)18-6-19-15(13)21/h5-7H,1-4H3,(H2,17,18,19)
InChIKey
XJHVHCIMHGZYCX-UHFFFAOYSA-N
Compound name
(6-aminopurin-9-yl)-(2,3,5,6-tetramethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1433 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 170.7
[M+Na]+ 318.13252 186.0
[M+NH4]+ 313.17712 177.0
[M+K]+ 334.10646 181.5
[M-H]- 294.13602 173.3
[M+Na-2H]- 316.11797 177.1
[M]+ 295.14275 173.6
[M]- 295.14385 173.6
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.