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]+ 235.11896 153.9
[M+Na]+ 257.10090 163.7
[M-H]- 233.10440 153.8
[M+NH4]+ 252.14550 169.9
[M+K]+ 273.07484 160.3
[M+H-H2O]+ 217.10894 146.7
[M+HCOO]- 279.10988 172.8
[M+CH3COO]- 293.12553 189.9
[M+Na-2H]- 255.08635 159.8
[M]+ 234.11113 155.1
[M]- 234.11223 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.