CID 451578

3'-azido-5'-o-p-chlorobenzyl-3'-deoxythymidine

Structural Information

Molecular Formula
C17H18ClN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCC3=CC=C(C=C3)Cl)N=[N+]=[N-]
InChI
InChI=1S/C17H18ClN5O4/c1-10-7-23(17(25)20-16(10)24)15-6-13(21-22-19)14(27-15)9-26-8-11-2-4-12(18)5-3-11/h2-5,7,13-15H,6,8-9H2,1H3,(H,20,24,25)/t13-,14+,15+/m0/s1
InChIKey
HPSFTOLBAMMQHO-RRFJBIMHSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-[(4-chlorophenyl)methoxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.10474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11202 194.2
[M+Na]+ 414.09396 201.6
[M-H]- 390.09746 203.4
[M+NH4]+ 409.13856 203.2
[M+K]+ 430.06790 191.9
[M+H-H2O]+ 374.10200 188.3
[M+HCOO]- 436.10294 214.2
[M+CH3COO]- 450.11859 218.1
[M+Na-2H]- 412.07941 198.4
[M]+ 391.10419 195.4
[M]- 391.10529 195.4
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.