CID 16834

Refchem:831658

Structural Information

Molecular Formula
C17H19N5O
SMILES
C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4
InChI
InChI=1S/C17H19N5O/c1-2-6-13(7-3-1)10-18-16-15-17(20-11-19-16)22(12-21-15)14-8-4-5-9-23-14/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,18,19,20)
InChIKey
POFWRMVFWIJXHP-UHFFFAOYSA-N
Compound name
N-benzyl-9-(oxan-2-yl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2590
Patents

309.15897 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16625 170.6
[M+Na]+ 332.14819 177.5
[M-H]- 308.15169 176.0
[M+NH4]+ 327.19279 180.2
[M+K]+ 348.12213 172.4
[M+H-H2O]+ 292.15623 158.5
[M+HCOO]- 354.15717 187.7
[M+CH3COO]- 368.17282 180.2
[M+Na-2H]- 330.13364 176.8
[M]+ 309.15842 168.8
[M]- 309.15952 168.8
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.