CID 66570699

1211581-47-3

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)Cl
InChI
InChI=1S/C11H14ClN3O2/c1-11(2,3)17-10(16)15-5-7-4-13-9(12)14-8(7)6-15/h4H,5-6H2,1-3H3
InChIKey
GMGOBQAMJNTCPN-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

255.07745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08473 155.2
[M+Na]+ 278.06667 167.1
[M+NH4]+ 273.11127 162.0
[M+K]+ 294.04061 163.8
[M-H]- 254.07017 154.1
[M+Na-2H]- 276.05212 159.0
[M]+ 255.07690 156.7
[M]- 255.07800 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe