CID 135463642

(1's,2'r)-1-[[2-[(1s)-1,2-dihydroxyethyl]cyclopropyl]methyl]guanine

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@@H]([C@@H]1[C@@H](CO)O)CN2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)2-5-1-6(5)7(18)3-17/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7-/m1/s1
InChIKey
LQZGRJGUESUTEE-FSDSQADBSA-N
Compound name
2-amino-9-[[(1S,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 165.6
[M+Na]+ 288.10672 177.6
[M-H]- 264.11022 165.8
[M+NH4]+ 283.15132 173.1
[M+K]+ 304.08066 169.3
[M+H-H2O]+ 248.11476 158.1
[M+HCOO]- 310.11570 182.4
[M+CH3COO]- 324.13135 175.3
[M+Na-2H]- 286.09217 168.0
[M]+ 265.11695 167.8
[M]- 265.11805 167.8
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.