CID 5287565

5h-pyrrolo[3,2-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C6H6N4
SMILES
C1=CNC2=C1N=CN=C2N
InChI
InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKey
YRVFQPBPZCRUDX-UHFFFAOYSA-N
Compound name
5H-pyrrolo[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

344
Patents

134.05925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 122.7
[M+Na]+ 157.048468 133.7
[M-H]- 133.051974 122.4
[M+NH4]+ 152.093073 142.5
[M+K]+ 173.022408 129.9
[M+H-H2O]+ 117.056510 115.5
[M+HCOO]- 179.057451 145.5
[M+CH3COO]- 193.073101 136.6
[M+Na-2H]- 155.033916 132.5
[M]+ 134.05870142 121.1
[M]- 134.05979858 121.1
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