CID 146025940

Kd025 mesylate

Structural Information

Molecular Formula
C26H24N6O2
SMILES
CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC=C3C(=N2)C=CC=C3NC4=CC5=C(C=C4)NN=C5
InChI
InChI=1S/C26H24N6O2/c1-16(2)29-25(33)15-34-20-6-3-5-17(12-20)26-27-14-21-23(7-4-8-24(21)31-26)30-19-9-10-22-18(11-19)13-28-32-22/h3-14,16,30H,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKey
LMJPUXPTYLIRIY-UHFFFAOYSA-N
Compound name
2-[3-[5-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

24
Patents

452.19608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.203356 205.9
[M+Na]+ 475.185298 212.2
[M-H]- 451.188804 211.5
[M+NH4]+ 470.229903 210.9
[M+K]+ 491.159238 204.3
[M+H-H2O]+ 435.193340 193.3
[M+HCOO]- 497.194281 222.4
[M+CH3COO]- 511.209931 212.7
[M+Na-2H]- 473.170746 210.9
[M]+ 452.19553142 207.2
[M]- 452.19662858 207.2
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

No patent data available for this compound.