CID 6481442

(3r)-4-[2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)-2-oxo-acetyl]-n,n,3-trimethyl-piperazine-1-sulfonamide

Structural Information

Molecular Formula
C17H23N5O5S
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=NC=CC(=C23)OC)S(=O)(=O)N(C)C
InChI
InChI=1S/C17H23N5O5S/c1-11-10-21(28(25,26)20(2)3)7-8-22(11)17(24)15(23)12-9-19-16-14(12)13(27-4)5-6-18-16/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,19)/t11-/m1/s1
InChIKey
OFMLZBPGZFKDND-LLVKDONJSA-N
Compound name
(3R)-4-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetyl]-N,N,3-trimethylpiperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.142 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14928 193.2
[M+Na]+ 432.13122 200.0
[M-H]- 408.13472 196.1
[M+NH4]+ 427.17582 201.2
[M+K]+ 448.10516 197.1
[M+H-H2O]+ 392.13926 185.1
[M+HCOO]- 454.14020 202.1
[M+CH3COO]- 468.15585 223.7
[M+Na-2H]- 430.11667 192.7
[M]+ 409.14145 197.3
[M]- 409.14255 197.3
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.