CID 11667904

Chembl196867

Structural Information

Molecular Formula
C16H19N6O3P
SMILES
CC1=C2C(=CC=C1)COP(=O)(N2)COCCN3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C16H19N6O3P/c1-11-3-2-4-12-7-25-26(23,21-13(11)12)10-24-6-5-22-9-20-14-15(17)18-8-19-16(14)22/h2-4,8-9H,5-7,10H2,1H3,(H,21,23)(H2,17,18,19)
InChIKey
WUSUQKHDEJIFEV-UHFFFAOYSA-N
Compound name
9-[2-[(8-methyl-2-oxo-1,4-dihydro-3,1,2lambda5-benzoxazaphosphinin-2-yl)methoxy]ethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1256 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13288 187.5
[M+Na]+ 397.11482 196.5
[M-H]- 373.11832 187.7
[M+NH4]+ 392.15942 196.0
[M+K]+ 413.08876 191.9
[M+H-H2O]+ 357.12286 173.6
[M+HCOO]- 419.12380 206.2
[M+CH3COO]- 433.13945 195.6
[M+Na-2H]- 395.10027 189.4
[M]+ 374.12505 189.0
[M]- 374.12615 189.0
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.