CID 3009340

Nmp-azt

Structural Information

Molecular Formula
C23H40N7O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCCCCCCCN3CCN(CC3)C)N=[N+]=[N-]
InChI
InChI=1S/C23H40N7O7P/c1-18-16-30(23(32)25-22(18)31)21-15-19(26-27-24)20(37-21)17-36-38(33,34)35-14-8-6-4-3-5-7-9-29-12-10-28(2)11-13-29/h16,19-21H,3-15,17H2,1-2H3,(H,33,34)(H,25,31,32)/t19-,20+,21+/m0/s1
InChIKey
DNDGVVCDMQXNLD-PWRODBHTSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 8-(4-methylpiperazin-1-yl)octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.2727 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.27998 229.8
[M+Na]+ 580.26192 228.6
[M-H]- 556.26542 232.8
[M+NH4]+ 575.30652 227.7
[M+K]+ 596.23586 221.5
[M+H-H2O]+ 540.26996 219.5
[M+HCOO]- 602.27090 248.0
[M+CH3COO]- 616.28655 249.7
[M+Na-2H]- 578.24737 230.6
[M]+ 557.27215 228.5
[M]- 557.27325 228.5
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.