CID 3010163

112089-07-3

Structural Information

Molecular Formula
C15H14N6
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)C#N
InChI
InChI=1S/C15H14N6/c1-20(2)14-13-15(18-9-17-14)21(10-19-13)8-12-5-3-11(7-16)4-6-12/h3-6,9-10H,8H2,1-2H3
InChIKey
CUROLVOKDFSRLS-UHFFFAOYSA-N
Compound name
4-[[6-(dimethylamino)purin-9-yl]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

278.128 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13528 163.4
[M+Na]+ 301.11722 174.7
[M-H]- 277.12072 165.0
[M+NH4]+ 296.16182 174.9
[M+K]+ 317.09116 168.5
[M+H-H2O]+ 261.12526 145.3
[M+HCOO]- 323.12620 180.9
[M+CH3COO]- 337.14185 173.0
[M+Na-2H]- 299.10267 168.6
[M]+ 278.12745 161.0
[M]- 278.12855 161.0
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.