CID 135430307

309947-91-9

Structural Information

Molecular Formula
C10H13N5O3
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(C(=O)N1)NC=N2
InChI
InChI=1S/C10H13N5O3/c1-10(2,3)18-9(17)15-8-13-6-5(7(16)14-8)11-4-12-6/h4H,1-3H3,(H3,11,12,13,14,15,16,17)
InChIKey
HUXGLYJQFDJVSE-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxo-1,7-dihydropurin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.10184 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.8
[M+Na]+ 274.09106 163.7
[M+NH4]+ 269.13566 157.6
[M+K]+ 290.06500 163.1
[M-H]- 250.09456 150.7
[M+Na-2H]- 272.07651 156.9
[M]+ 251.10129 153.8
[M]- 251.10239 153.8
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