CID 500279

Nsc682693

Structural Information

Molecular Formula
C21H27N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)OC)N=[N+]=[N-]
InChI
InChI=1S/C21H27N6O8P/c1-13-11-27(21(30)23-19(13)28)18-10-15(24-26-22)17(35-18)12-34-36(31,33-3)25-16(20(29)32-2)9-14-7-5-4-6-8-14/h4-8,11,15-18H,9-10,12H2,1-3H3,(H,25,31)(H,23,28,30)/t15-,16?,17+,18+,36?/m0/s1
InChIKey
UYMOGJMNVIYHNW-ZZCNVRBBSA-N
Compound name
methyl 2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1628 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.17008 213.5
[M+Na]+ 545.15202 214.1
[M-H]- 521.15552 221.6
[M+NH4]+ 540.19662 215.3
[M+K]+ 561.12596 209.7
[M+H-H2O]+ 505.16006 204.2
[M+HCOO]- 567.16100 240.1
[M+CH3COO]- 581.17665 245.5
[M+Na-2H]- 543.13747 217.7
[M]+ 522.16225 214.9
[M]- 522.16335 214.9
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.