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
1
Annotation Hits

6
References

418
Patents

134.05925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 122.5
[M+Na]+ 157.04847 135.5
[M+NH4]+ 152.09307 130.8
[M+K]+ 173.02241 131.7
[M-H]- 133.05197 123.4
[M+Na-2H]- 155.03392 129.7
[M]+ 134.05870 124.4
[M]- 134.05980 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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