CID 135462318

2-amino-9-[(1r,4s)-4-(hydroxymethyl)-4-nonyl-cyclopent-2-en-1-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C20H31N5O2
SMILES
CCCCCCCCC[C@@]1(C[C@H](C=C1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C20H31N5O2/c1-2-3-4-5-6-7-8-10-20(13-26)11-9-15(12-20)25-14-22-16-17(25)23-19(21)24-18(16)27/h9,11,14-15,26H,2-8,10,12-13H2,1H3,(H3,21,23,24,27)/t15-,20+/m0/s1
InChIKey
DNZPNJHZLYBZQI-MGPUTAFESA-N
Compound name
2-amino-9-[(1R,4S)-4-(hydroxymethyl)-4-nonylcyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24777 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.25505 190.1
[M+Na]+ 396.23699 197.9
[M-H]- 372.24049 190.1
[M+NH4]+ 391.28159 202.0
[M+K]+ 412.21093 190.9
[M+H-H2O]+ 356.24503 180.7
[M+HCOO]- 418.24597 206.6
[M+CH3COO]- 432.26162 215.6
[M+Na-2H]- 394.22244 189.8
[M]+ 373.24722 192.5
[M]- 373.24832 192.5
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.