CID 475071

3'-azido-3-n-(3-bromononyl)-3'-deoxythymidine

Structural Information

Molecular Formula
C19H30BrN5O4
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCCCBr)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C19H30BrN5O4/c1-14-12-25(17-11-15(22-23-21)16(13-26)29-17)19(28)24(18(14)27)10-8-6-4-2-3-5-7-9-20/h12,15-17,26H,2-11,13H2,1H3/t15-,16+,17+/m0/s1
InChIKey
MQPAVXBVQQJPKW-GVDBMIGSSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(9-bromononyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.14813 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15541 207.1
[M+Na]+ 494.13735 214.9
[M-H]- 470.14085 214.9
[M+NH4]+ 489.18195 216.9
[M+K]+ 510.11129 197.9
[M+H-H2O]+ 454.14539 206.1
[M+HCOO]- 516.14633 227.4
[M+CH3COO]- 530.16198 231.4
[M+Na-2H]- 492.12280 210.0
[M]+ 471.14758 228.1
[M]- 471.14868 228.1
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.