CID 135379087

2252403-82-8

Structural Information

Molecular Formula
C16H14ClFN4O2
SMILES
CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=O)NC2=O)F)Cl
InChI
InChI=1S/C16H14ClFN4O2/c1-7(2)11-12(8(3)4-5-19-11)22-14-9(15(23)21-16(22)24)6-10(18)13(17)20-14/h4-7H,1-3H3,(H,21,23,24)
InChIKey
OXJTVPMAMRSGNT-UHFFFAOYSA-N
Compound name
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

348.07892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08620 178.9
[M+Na]+ 371.06814 192.7
[M-H]- 347.07164 179.9
[M+NH4]+ 366.11274 188.6
[M+K]+ 387.04208 184.4
[M+H-H2O]+ 331.07618 168.4
[M+HCOO]- 393.07712 189.1
[M+CH3COO]- 407.09277 188.9
[M+Na-2H]- 369.05359 181.1
[M]+ 348.07837 182.1
[M]- 348.07947 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe