CID 490443

(1s,2r,3s,4r)-4-(8-aminoimidazo[4,5-g]quinazolin-3-yl)cyclopentane-1,2,3-triol

Structural Information

Molecular Formula
C14H15N5O3
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C2C=C4C(=C3)C(=NC=N4)N
InChI
InChI=1S/C14H15N5O3/c15-14-6-1-8-9(2-7(6)16-4-17-14)19(5-18-8)10-3-11(20)13(22)12(10)21/h1-2,4-5,10-13,20-22H,3H2,(H2,15,16,17)/t10-,11+,12+,13-/m1/s1
InChIKey
CQJAJDWTQYMYKU-MROQNXINSA-N
Compound name
(1S,2R,3S,4R)-4-(8-aminoimidazo[4,5-g]quinazolin-3-yl)cyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12478 167.3
[M+Na]+ 324.10672 178.1
[M-H]- 300.11022 168.7
[M+NH4]+ 319.15132 180.8
[M+K]+ 340.08066 172.2
[M+H-H2O]+ 284.11476 159.6
[M+HCOO]- 346.11570 182.6
[M+CH3COO]- 360.13135 177.5
[M+Na-2H]- 322.09217 168.8
[M]+ 301.11695 166.3
[M]- 301.11805 166.3
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.