CID 452711

134250-30-9

Structural Information

Molecular Formula
C19H31N6O8P
SMILES
CCOP(=O)(NCCCCCC(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C19H31N6O8P/c1-4-31-34(29,21-9-7-5-6-8-17(26)30-3)32-12-15-14(23-24-20)10-16(33-15)25-11-13(2)18(27)22-19(25)28/h11,14-16H,4-10,12H2,1-3H3,(H,21,29)(H,22,27,28)/t14-,15+,16+,34?/m0/s1
InChIKey
AGFGADMNSNLHRQ-MGWFWUSASA-N
Compound name
methyl 6-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

502.1941 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.20138 211.5
[M+Na]+ 525.18332 212.8
[M-H]- 501.18682 216.2
[M+NH4]+ 520.22792 237.1
[M+K]+ 541.15726 208.0
[M+H-H2O]+ 485.19136 203.3
[M+HCOO]- 547.19230 256.4
[M+CH3COO]- 561.20795 242.6
[M+Na-2H]- 523.16877 215.7
[M]+ 502.19355 215.7
[M]- 502.19465 215.7
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.