CID 164537716

Abbv-992

Structural Information

Molecular Formula
C26H28N6O3
SMILES
C=CC(=O)N1CCN(CC1)[C@@H]2CCNC3=C(N(N=C23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C26H28N6O3/c1-2-22(33)31-16-14-30(15-17-31)21-12-13-28-24-23(21)29-32(25(24)26(27)34)18-8-10-20(11-9-18)35-19-6-4-3-5-7-19/h2-11,21,28H,1,12-17H2,(H2,27,34)/t21-/m1/s1
InChIKey
GGGFIIVWEWVEPH-OAQYLSRUSA-N
Compound name
(7R)-2-(4-phenoxyphenyl)-7-(4-prop-2-enoylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

472.2223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22958 213.9
[M+Na]+ 495.21152 225.0
[M+NH4]+ 490.25612 217.4
[M+K]+ 511.18546 221.2
[M-H]- 471.21502 217.8
[M+Na-2H]- 493.19697 218.8
[M]+ 472.22175 216.0
[M]- 472.22285 216.0
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

patents stripe