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

1
References

49
Patents

452.19608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20336 205.9
[M+Na]+ 475.18530 212.2
[M-H]- 451.18880 211.5
[M+NH4]+ 470.22990 210.9
[M+K]+ 491.15924 204.3
[M+H-H2O]+ 435.19334 193.3
[M+HCOO]- 497.19428 222.4
[M+CH3COO]- 511.20993 212.7
[M+Na-2H]- 473.17075 210.9
[M]+ 452.19553 207.2
[M]- 452.19663 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.