CID 52000

73663-97-5

Structural Information

Molecular Formula
C12H11N5O
SMILES
COC1=CC=CC=C1NC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C12H11N5O/c1-18-9-5-3-2-4-8(9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey
IQOGGWLYHJXIIF-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

241.09636 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.103636 150.9
[M+Na]+ 264.085578 161.4
[M-H]- 240.089084 153.0
[M+NH4]+ 259.130183 164.9
[M+K]+ 280.059518 155.8
[M+H-H2O]+ 224.093620 141.1
[M+HCOO]- 286.094561 172.4
[M+CH3COO]- 300.110211 162.8
[M+Na-2H]- 262.071026 160.2
[M]+ 241.09581142 152.1
[M]- 241.09690858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe