CID 25149605

674799-96-3

Structural Information

Molecular Formula
C13H14N6O
SMILES
C1=CC(=CC=C1CN)COC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
InChIKey
UINSGVKWAFJDPI-UHFFFAOYSA-N
Compound name
6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

125
Patents

270.1229 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13018 159.5
[M+Na]+ 293.11212 172.5
[M+NH4]+ 288.15672 165.7
[M+K]+ 309.08606 168.6
[M-H]- 269.11562 162.0
[M+Na-2H]- 291.09757 166.8
[M]+ 270.12235 161.8
[M]- 270.12345 161.8
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