CID 454732

147920-17-0

Structural Information

Molecular Formula
C22H28N6O3S
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)NS(=O)(=O)C
InChI
InChI=1S/C22H28N6O3S/c1-15(2)24-18-5-4-8-23-21(18)27-9-11-28(12-10-27)22(29)20-13-16-6-7-17(14-19(16)25-20)26-32(3,30)31/h4-8,13-15,24-26H,9-12H2,1-3H3
InChIKey
MNBKLKMYYXAKHM-UHFFFAOYSA-N
Compound name
N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-6-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.19437 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20165 206.0
[M+Na]+ 479.18359 211.2
[M-H]- 455.18709 210.3
[M+NH4]+ 474.22819 210.9
[M+K]+ 495.15753 204.7
[M+H-H2O]+ 439.19163 196.4
[M+HCOO]- 501.19257 214.7
[M+CH3COO]- 515.20822 232.9
[M+Na-2H]- 477.16904 207.0
[M]+ 456.19382 205.4
[M]- 456.19492 205.4
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.