CID 454681

N,n'-di(meocome)(nh)2po2 azt

Structural Information

Molecular Formula
C16H24N7O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NCC(=O)OC)NCC(=O)OC)N=[N+]=[N-]
InChI
InChI=1S/C16H24N7O9P/c1-9-7-23(16(27)20-15(9)26)12-4-10(21-22-17)11(32-12)8-31-33(28,18-5-13(24)29-2)19-6-14(25)30-3/h7,10-12H,4-6,8H2,1-3H3,(H2,18,19,28)(H,20,26,27)/t10-,11+,12+/m0/s1
InChIKey
AQFCVZLCJIGBPS-QJPTWQEYSA-N
Compound name
methyl 2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2-methoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1373 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.14458 199.5
[M+Na]+ 512.12652 200.6
[M-H]- 488.13002 204.8
[M+NH4]+ 507.17112 233.3
[M+K]+ 528.10046 197.6
[M+H-H2O]+ 472.13456 191.5
[M+HCOO]- 534.13550 248.4
[M+CH3COO]- 548.15115 240.7
[M+Na-2H]- 510.11197 205.6
[M]+ 489.13675 201.6
[M]- 489.13785 201.6
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.