CID 16227259

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)O
InChI
InChI=1S/C15H15N3O2/c1-9-11(7-8-14(19)20)10(2)18-15(16-9)12-5-3-4-6-13(12)17-18/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKey
MSBHZPKNCYTONU-UHFFFAOYSA-N
Compound name
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 161.9
[M+Na]+ 292.10564 176.5
[M+NH4]+ 287.15024 169.1
[M+K]+ 308.07958 171.7
[M-H]- 268.10914 162.5
[M+Na-2H]- 290.09109 166.6
[M]+ 269.11587 164.1
[M]- 269.11697 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.