CID 3075662

Formamide, n-cyclopropyl-n-(9-(cyclopropylmethyl)-9h-purin-6-yl)-

Structural Information

Molecular Formula
C13H15N5O
SMILES
C1CC1CN2C=NC3=C2N=CN=C3N(C=O)C4CC4
InChI
InChI=1S/C13H15N5O/c19-8-18(10-3-4-10)13-11-12(14-6-15-13)17(7-16-11)5-9-1-2-9/h6-10H,1-5H2
InChIKey
SJUAGEBOYONAMV-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-[9-(cyclopropylmethyl)purin-6-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.12766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 142.9
[M+Na]+ 280.11688 156.9
[M+NH4]+ 275.16148 150.5
[M+K]+ 296.09082 156.1
[M-H]- 256.12038 157.6
[M+Na-2H]- 278.10233 155.0
[M]+ 257.12711 150.9
[M]- 257.12821 150.9
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

No patent data available for this compound.