CID 132162130

Civorebrutinib

Structural Information

Molecular Formula
C23H22ClN7O2
SMILES
C1CC2(CC2)N(C[C@@H]1N3C(=C(C(=N3)C4=CC=C(C=C4)OC5=NC=C(C=C5)Cl)C(=O)N)N)C#N
InChI
InChI=1S/C23H22ClN7O2/c24-15-3-6-18(28-11-15)33-17-4-1-14(2-5-17)20-19(22(27)32)21(26)31(29-20)16-7-8-23(9-10-23)30(12-16)13-25/h1-6,11,16H,7-10,12,26H2,(H2,27,32)/t16-/m1/s1
InChIKey
OSEITUBGGJDFBK-MRXNPFEDSA-N
Compound name
5-amino-3-[4-(5-chloropyridin-2-yl)oxyphenyl]-1-[(6R)-4-cyano-4-azaspiro[2.5]octan-6-yl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

463.15234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15962 207.1
[M+Na]+ 486.14156 220.8
[M+NH4]+ 481.18616 211.2
[M+K]+ 502.11550 212.2
[M-H]- 462.14506 212.1
[M+Na-2H]- 484.12701 214.5
[M]+ 463.15179 210.9
[M]- 463.15289 210.9
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