CID 135410907

7-deazaguanosine

Structural Information

Molecular Formula
C11H14N4O5
SMILES
C1=CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1
InChIKey
JRYMOPZHXMVHTA-DAGMQNCNSA-N
Compound name
2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

22618
Patents

282.0964 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 160.1
[M+Na]+ 305.08562 170.4
[M-H]- 281.08912 161.1
[M+NH4]+ 300.13022 172.7
[M+K]+ 321.05956 166.5
[M+H-H2O]+ 265.09366 153.6
[M+HCOO]- 327.09460 175.9
[M+CH3COO]- 341.11025 170.8
[M+Na-2H]- 303.07107 160.7
[M]+ 282.09585 159.5
[M]- 282.09695 159.5
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