CID 510990

5-trifluoromethylcytidine

Structural Information

Molecular Formula
C10H12F3N3O5
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(F)(F)F
InChI
InChI=1S/C10H12F3N3O5/c11-10(12,13)3-1-16(9(20)15-7(3)14)8-6(19)5(18)4(2-17)21-8/h1,4-6,8,17-19H,2H2,(H2,14,15,20)/t4-,5-,6-,8-/m1/s1
InChIKey
GTPDEYWPIGFRQM-UAKXSSHOSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

804
Patents

311.0729 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08018 164.1
[M+Na]+ 334.06212 173.8
[M-H]- 310.06562 162.1
[M+NH4]+ 329.10672 174.6
[M+K]+ 350.03606 170.6
[M+H-H2O]+ 294.07016 155.1
[M+HCOO]- 356.07110 176.2
[M+CH3COO]- 370.08675 199.3
[M+Na-2H]- 332.04757 163.9
[M]+ 311.07235 159.0
[M]- 311.07345 159.0
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.