CID 462960

1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-methyl-n-[3-[(cyclopropylmethyl)amino]-2-pyridinyl]amino]piperidine

Structural Information

Molecular Formula
C25H32N6O3S
SMILES
CN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)NCC5CC5
InChI
InChI=1S/C25H32N6O3S/c1-30(24-22(4-3-11-26-24)27-16-17-5-6-17)20-9-12-31(13-10-20)25(32)23-15-18-14-19(29-35(2,33)34)7-8-21(18)28-23/h3-4,7-8,11,14-15,17,20,27-29H,5-6,9-10,12-13,16H2,1-2H3
InChIKey
KKUVDQZGPPXHMY-UHFFFAOYSA-N
Compound name
N-[2-[4-[[3-(cyclopropylmethylamino)pyridin-2-yl]-methylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.22565 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.23293 209.4
[M+Na]+ 519.21487 214.3
[M-H]- 495.21837 218.3
[M+NH4]+ 514.25947 209.9
[M+K]+ 535.18881 207.0
[M+H-H2O]+ 479.22291 200.9
[M+HCOO]- 541.22385 221.8
[M+CH3COO]- 555.23950 215.2
[M+Na-2H]- 517.20032 211.0
[M]+ 496.22510 211.5
[M]- 496.22620 211.5
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.