CID 16834

2312-73-4

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

2845
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

literature stripe

Patent stripe

patents stripe