CID 454683

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

Structural Information

Molecular Formula
C22H36N7O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C(C)C)C(=O)OC)N[C@@H](C(C)C)C(=O)OC)N=[N+]=[N-]
InChI
InChI=1S/C22H36N7O9P/c1-11(2)17(20(31)35-6)26-39(34,27-18(12(3)4)21(32)36-7)37-10-15-14(25-28-23)8-16(38-15)29-9-13(5)19(30)24-22(29)33/h9,11-12,14-18H,8,10H2,1-7H3,(H,24,30,33)(H2,26,27,34)/t14-,15+,16+,17-,18-/m0/s1
InChIKey
DVAFFSJYRQOFLY-PNKHAZJDSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]phosphoryl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.2312 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.23848 233.6
[M+Na]+ 596.22042 254.7
[M-H]- 572.22392 252.5
[M+NH4]+ 591.26502 250.8
[M+K]+ 612.19436 241.6
[M+H-H2O]+ 556.22846 224.3
[M+HCOO]- 618.22940 248.4
[M+CH3COO]- 632.24505 260.6
[M+Na-2H]- 594.20587 255.8
[M]+ 573.23065 224.2
[M]- 573.23175 224.2
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.