CID 462979

1-[[5-[[(4-methyl-1-piperazinyl)sulfonyl]amino]indol-2-yl]carbonyl]-4-[n-ethyl-n-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine

Structural Information

Molecular Formula
C30H44N8O3S
SMILES
CCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)N4CCN(CC4)C)C5=C(C=CC=N5)NC(C)(C)C
InChI
InChI=1S/C30H44N8O3S/c1-6-38(28-26(8-7-13-31-28)33-30(2,3)4)24-11-14-36(15-12-24)29(39)27-21-22-20-23(9-10-25(22)32-27)34-42(40,41)37-18-16-35(5)17-19-37/h7-10,13,20-21,24,32-34H,6,11-12,14-19H2,1-5H3
InChIKey
CJVSAUCGCNOXQW-UHFFFAOYSA-N
Compound name
N-[2-[4-[[3-(tert-butylamino)pyridin-2-yl]-ethylamino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methylpiperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

596.3257 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.33298 237.1
[M+Na]+ 619.31492 237.3
[M-H]- 595.31842 242.8
[M+NH4]+ 614.35952 234.8
[M+K]+ 635.28886 231.6
[M+H-H2O]+ 579.32296 226.0
[M+HCOO]- 641.32390 239.8
[M+CH3COO]- 655.33955 264.0
[M+Na-2H]- 617.30037 237.7
[M]+ 596.32515 233.9
[M]- 596.32625 233.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.