CID 386502

Nsc678872

Structural Information

Molecular Formula
C21H20N4O4
SMILES
CC1=NN2C=CC(=CC2=C1CC3=C4C=C(C=CN4N=C3C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H20N4O4/c1-12-18(20-9-16(28-14(3)26)5-7-24(20)22-12)11-19-13(2)23-25-8-6-17(10-21(19)25)29-15(4)27/h5-10H,11H2,1-4H3
InChIKey
CCSQGYSMUMXKFA-UHFFFAOYSA-N
Compound name
[3-[(5-acetyloxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14847 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 194.4
[M+Na]+ 415.13769 206.6
[M-H]- 391.14119 200.4
[M+NH4]+ 410.18229 206.5
[M+K]+ 431.11163 201.9
[M+H-H2O]+ 375.14573 185.1
[M+HCOO]- 437.14667 213.7
[M+CH3COO]- 451.16232 205.3
[M+Na-2H]- 413.12314 194.1
[M]+ 392.14792 204.9
[M]- 392.14902 204.9
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.