CID 154700087

188780-44-1

Structural Information

Molecular Formula
C22H28N6O4S
SMILES
CC(C)NC1=C(NC(=O)C=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C22H28N6O4S/c1-14(2)23-18-6-7-20(29)25-21(18)27-8-10-28(11-9-27)22(30)19-13-15-12-16(26-33(3,31)32)4-5-17(15)24-19/h4-7,12-14,23-24,26H,8-11H2,1-3H3,(H,25,29)
InChIKey
XJERELUGQMAAEH-UHFFFAOYSA-N
Compound name
N-[2-[4-[6-oxo-3-(propan-2-ylamino)-1H-pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.18927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.19655 205.7
[M+Na]+ 495.17849 214.7
[M+NH4]+ 490.22309 208.3
[M+K]+ 511.15243 211.6
[M-H]- 471.18199 207.1
[M+Na-2H]- 493.16394 209.9
[M]+ 472.18872 207.2
[M]- 472.18982 207.2
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.