CID 56924366

1053657-15-0

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)N=CN=C2Cl
InChI
InChI=1S/C11H14ClN3O2/c1-11(2,3)17-10(16)15-4-7-8(5-15)13-6-14-9(7)12/h6H,4-5H2,1-3H3
InChIKey
WYPZAZKOWIMMSS-UHFFFAOYSA-N
Compound name
tert-butyl 4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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 157.8
[M+Na]+ 278.06667 167.7
[M-H]- 254.07017 158.6
[M+NH4]+ 273.11127 174.9
[M+K]+ 294.04061 164.3
[M+H-H2O]+ 238.07471 150.8
[M+HCOO]- 300.07565 170.2
[M+CH3COO]- 314.09130 191.7
[M+Na-2H]- 276.05212 162.1
[M]+ 255.07690 161.4
[M]- 255.07800 161.4
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