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]+ 270.123696 162.5
[M+Na]+ 292.105638 174.1
[M-H]- 268.109144 163.8
[M+NH4]+ 287.150243 178.7
[M+K]+ 308.079578 168.7
[M+H-H2O]+ 252.113680 154.5
[M+HCOO]- 314.114621 180.9
[M+CH3COO]- 328.130271 174.4
[M+Na-2H]- 290.091086 167.2
[M]+ 269.11587142 167.0
[M]- 269.11696858 167.0
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.