CID 468306

Chembl148532

Structural Information

Molecular Formula
C23H30N6O3S
SMILES
CC(C)(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C23H30N6O3S/c1-23(2,3)26-19-6-5-9-24-21(19)28-10-12-29(13-11-28)22(30)20-15-16-14-17(27-33(4,31)32)7-8-18(16)25-20/h5-9,14-15,25-27H,10-13H2,1-4H3
InChIKey
ADRINTQAEHTJME-UHFFFAOYSA-N
Compound name
N-[2-[4-[3-(tert-butylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.21002 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.21730 212.5
[M+Na]+ 493.19924 217.9
[M-H]- 469.20274 216.8
[M+NH4]+ 488.24384 217.1
[M+K]+ 509.17318 211.4
[M+H-H2O]+ 453.20728 203.2
[M+HCOO]- 515.20822 220.2
[M+CH3COO]- 529.22387 234.8
[M+Na-2H]- 491.18469 215.2
[M]+ 470.20947 212.1
[M]- 470.21057 212.1
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.