CID 11575421

9-[[1-(diisopropoxyphosphorylmethoxymethyl)cyclopent-3-en-1-yl]methyl]purin-6-amine

Structural Information

Molecular Formula
C19H30N5O4P
SMILES
CC(C)OP(=O)(COCC1(CC=CC1)CN2C=NC3=C(N=CN=C32)N)OC(C)C
InChI
InChI=1S/C19H30N5O4P/c1-14(2)27-29(25,28-15(3)4)13-26-10-19(7-5-6-8-19)9-24-12-23-16-17(20)21-11-22-18(16)24/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H2,20,21,22)
InChIKey
VCYFMJTXVYNZJW-UHFFFAOYSA-N
Compound name
9-[[1-[di(propan-2-yloxy)phosphorylmethoxymethyl]cyclopent-3-en-1-yl]methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.20355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21083 198.9
[M+Na]+ 446.19277 203.6
[M-H]- 422.19627 200.2
[M+NH4]+ 441.23737 209.4
[M+K]+ 462.16671 202.4
[M+H-H2O]+ 406.20081 187.1
[M+HCOO]- 468.20175 220.0
[M+CH3COO]- 482.21740 227.8
[M+Na-2H]- 444.17822 197.2
[M]+ 423.20300 204.9
[M]- 423.20410 204.9
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

No patent data available for this compound.