CID 132388272

Tert-butyl 4-imino-1h,4h,7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CC(C)(C)OC(=O)C1=CC2=C(N=CN=C2N1)N
InChI
InChI=1S/C11H14N4O2/c1-11(2,3)17-10(16)7-4-6-8(12)13-5-14-9(6)15-7/h4-5H,1-3H3,(H3,12,13,14,15)
InChIKey
IODHEPNYPFJCGI-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 153.9
[M+Na]+ 257.100898 163.7
[M-H]- 233.104404 153.8
[M+NH4]+ 252.145503 169.9
[M+K]+ 273.074838 160.3
[M+H-H2O]+ 217.108940 146.7
[M+HCOO]- 279.109881 172.8
[M+CH3COO]- 293.125531 189.9
[M+Na-2H]- 255.086346 159.8
[M]+ 234.11113142 155.1
[M]- 234.11222858 155.1
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

No patent data available for this compound.