CID 15476965

Tert-butyl n-(6-chloro-9h-purin-2-yl)carbamate

Structural Information

Molecular Formula
C10H12ClN5O2
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(C(=N1)Cl)NC=N2
InChI
InChI=1S/C10H12ClN5O2/c1-10(2,3)18-9(17)16-8-14-6(11)5-7(15-8)13-4-12-5/h4H,1-3H3,(H2,12,13,14,15,16,17)
InChIKey
FVZGELOMTPFKMY-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

269.06796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07524 159.7
[M+Na]+ 292.05718 170.6
[M-H]- 268.06068 158.7
[M+NH4]+ 287.10178 173.9
[M+K]+ 308.03112 166.0
[M+H-H2O]+ 252.06522 152.0
[M+HCOO]- 314.06616 173.4
[M+CH3COO]- 328.08181 193.6
[M+Na-2H]- 290.04263 166.5
[M]+ 269.06741 163.6
[M]- 269.06851 163.6
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