CID 134823904

Arry-192

Structural Information

Molecular Formula
C29H34N8O3
SMILES
CC1=C2C(=CC(=CN2N=C1)OC[C@@H]3CNCCO3)C4=CN=C(C=N4)N5CC6CC(C5)N6CC7=CN=C(C=C7)OC
InChI
InChI=1S/C29H34N8O3/c1-19-9-34-37-17-23(40-18-24-11-30-5-6-39-24)8-25(29(19)37)26-12-32-27(13-31-26)35-15-21-7-22(16-35)36(21)14-20-3-4-28(38-2)33-10-20/h3-4,8-10,12-13,17,21-22,24,30H,5-7,11,14-16,18H2,1-2H3/t21?,22?,24-/m0/s1
InChIKey
MFOVQWYFURMVKU-IWAAJCSBSA-N
Compound name
(2S)-2-[[4-[5-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.28268 225.3
[M+Na]+ 565.26462 227.8
[M-H]- 541.26812 224.9
[M+NH4]+ 560.30922 217.5
[M+K]+ 581.23856 224.4
[M+H-H2O]+ 525.27266 204.1
[M+HCOO]- 587.27360 222.3
[M+CH3COO]- 601.28925 226.0
[M+Na-2H]- 563.25007 225.4
[M]+ 542.27485 234.6
[M]- 542.27595 234.6
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.