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 185.5
[M+Na]+ 280.11688 195.1
[M-H]- 256.12038 191.7
[M+NH4]+ 275.16148 189.2
[M+K]+ 296.09082 189.3
[M+H-H2O]+ 240.12492 176.6
[M+HCOO]- 302.12586 204.7
[M+CH3COO]- 316.14151 193.4
[M+Na-2H]- 278.10233 186.9
[M]+ 257.12711 190.9
[M]- 257.12821 190.9
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.