CID 135408714

7-deazaguanine

Structural Information

Molecular Formula
C6H6N4O
SMILES
C1=CNC2=C1C(=O)NC(=N2)N
InChI
InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChIKey
OLAFFPNXVJANFR-UHFFFAOYSA-N
Compound name
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

4241
Patents

150.05415 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 126.2
[M+Na]+ 173.04337 138.5
[M+NH4]+ 168.08797 133.2
[M+K]+ 189.01731 135.7
[M-H]- 149.04687 125.9
[M+Na-2H]- 171.02882 131.8
[M]+ 150.05360 127.5
[M]- 150.05470 127.5
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