CID 3010164

112089-08-4

Structural Information

Molecular Formula
C14H15N5O
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)O
InChI
InChI=1S/C14H15N5O/c1-18(2)13-12-14(16-8-15-13)19(9-17-12)7-10-3-5-11(20)6-4-10/h3-6,8-9,20H,7H2,1-2H3
InChIKey
OHPHKSYDILBCSO-UHFFFAOYSA-N
Compound name
4-[[6-(dimethylamino)purin-9-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

269.12766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 161.4
[M+Na]+ 292.11688 171.9
[M-H]- 268.12038 164.9
[M+NH4]+ 287.16148 175.1
[M+K]+ 308.09082 167.2
[M+H-H2O]+ 252.12492 151.2
[M+HCOO]- 314.12586 182.6
[M+CH3COO]- 328.14151 173.2
[M+Na-2H]- 290.10233 167.9
[M]+ 269.12711 164.8
[M]- 269.12821 164.8
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.