CID 166625231

Chembl5095034

Structural Information

Molecular Formula
C24H30N6O3S
SMILES
CS(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=C(C4=NC=CN=C4C=N3)NC[C@@H]5CNCCO5
InChI
InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)22-24(28-15-20-14-25-10-13-33-20)23-21(16-29-22)26-8-9-27-23/h2-5,8-9,16,18,20,25,28H,6-7,10-15H2,1H3/t20-/m0/s1
InChIKey
BRCHZKBUGSKTND-FQEVSTJZSA-N
Compound name
7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-8-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

482.21002 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.21730 210.4
[M+Na]+ 505.19924 223.2
[M+NH4]+ 500.24384 215.1
[M+K]+ 521.17318 215.2
[M-H]- 481.20274 216.6
[M+Na-2H]- 503.18469 217.5
[M]+ 482.20947 214.2
[M]- 482.21057 214.2
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.