CID 454684

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

Structural Information

Molecular Formula
C30H36N7O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OC)N[C@@H](CC4=CC=CC=C4)C(=O)OC)N=[N+]=[N-]
InChI
InChI=1S/C30H36N7O9P/c1-19-17-37(30(41)32-27(19)38)26-16-22(33-36-31)25(46-26)18-45-47(42,34-23(28(39)43-2)14-20-10-6-4-7-11-20)35-24(29(40)44-3)15-21-12-8-5-9-13-21/h4-13,17,22-26H,14-16,18H2,1-3H3,(H,32,38,41)(H2,34,35,42)/t22-,23-,24-,25+,26+/m0/s1
InChIKey
KCRQPRJJGGFVFP-QWDLEPIUSA-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-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

669.2312 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.23848 244.3
[M+Na]+ 692.22042 246.5
[M-H]- 668.22392 242.8
[M+NH4]+ 687.26502 238.5
[M+K]+ 708.19436 236.0
[M+H-H2O]+ 652.22846 232.9
[M+HCOO]- 714.22940 246.8
[M+CH3COO]- 728.24505 274.8
[M+Na-2H]- 690.20587 268.5
[M]+ 669.23065 277.5
[M]- 669.23175 277.5
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.