CID 454735

147920-19-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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 210.0
[M+Na]+ 493.19924 214.8
[M-H]- 469.20274 215.5
[M+NH4]+ 488.24384 214.9
[M+K]+ 509.17318 209.6
[M+H-H2O]+ 453.20728 200.2
[M+HCOO]- 515.20822 218.8
[M+CH3COO]- 529.22387 238.7
[M+Na-2H]- 491.18469 210.0
[M]+ 470.20947 211.0
[M]- 470.21057 211.0
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.