CID 39869542

5-chloro-2-[(2-furanylmethyl)amino]-4-pyrimidinecarboxylic acid

Structural Information

Molecular Formula
C10H8ClN3O3
SMILES
C1=COC(=C1)CNC2=NC=C(C(=N2)C(=O)O)Cl
InChI
InChI=1S/C10H8ClN3O3/c11-7-5-13-10(14-8(7)9(15)16)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H,15,16)(H,12,13,14)
InChIKey
OIGSTMMHDNRYPP-UHFFFAOYSA-N
Compound name
5-chloro-2-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.02542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03270 151.5
[M+Na]+ 276.01464 160.8
[M-H]- 252.01814 155.5
[M+NH4]+ 271.05924 166.0
[M+K]+ 291.98858 157.5
[M+H-H2O]+ 236.02268 143.9
[M+HCOO]- 298.02362 169.1
[M+CH3COO]- 312.03927 190.0
[M+Na-2H]- 274.00009 156.7
[M]+ 253.02487 154.7
[M]- 253.02597 154.7
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.