CID 156487652

Camonsertib

Structural Information

Molecular Formula
C21H26N6O3
SMILES
C[C@@H]1COCCN1C2=NC3=C(C=NN3C4=CC=NN4)C(=C2)C5(C[C@H]6CC[C@@H](C5)O6)O
InChI
InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21?/m1/s1
InChIKey
YIHHYCIYAIVQKX-YNOVCBQDSA-N
Compound name
(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

140
Patents

410.20663 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21391 192.1
[M+Na]+ 433.19585 199.1
[M-H]- 409.19935 197.1
[M+NH4]+ 428.24045 199.7
[M+K]+ 449.16979 194.9
[M+H-H2O]+ 393.20389 181.5
[M+HCOO]- 455.20483 197.7
[M+CH3COO]- 469.22048 198.9
[M+Na-2H]- 431.18130 187.5
[M]+ 410.20608 189.5
[M]- 410.20718 189.5
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.