CID 512631

5-n-hexylcytidine 5'-monophosphate

Structural Information

Molecular Formula
C15H26N3O8P
SMILES
CCCCCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C15H26N3O8P/c1-2-3-4-5-6-9-7-18(15(21)17-13(9)16)14-12(20)11(19)10(26-14)8-25-27(22,23)24/h7,10-12,14,19-20H,2-6,8H2,1H3,(H2,16,17,21)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
InChIKey
MHNVEDPJGPYYMC-HKUMRIAESA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-5-hexyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.14575 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15303 193.6
[M+Na]+ 430.13497 198.2
[M-H]- 406.13847 191.9
[M+NH4]+ 425.17957 199.4
[M+K]+ 446.10891 196.9
[M+H-H2O]+ 390.14301 183.5
[M+HCOO]- 452.14395 211.1
[M+CH3COO]- 466.15960 218.4
[M+Na-2H]- 428.12042 189.8
[M]+ 407.14520 195.8
[M]- 407.14630 195.8
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.