CID 462983

Bdbm2664

Structural Information

Molecular Formula
C25H33FN6O3S
SMILES
CC(C)(C)NC1=C(N=C(C=C1)F)N(C)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
InChI
InChI=1S/C25H33FN6O3S/c1-25(2,3)29-20-8-9-22(26)28-23(20)31(4)18-10-12-32(13-11-18)24(33)21-15-16-14-17(30-36(5,34)35)6-7-19(16)27-21/h6-9,14-15,18,27,29-30H,10-13H2,1-5H3
InChIKey
BIMYIIMAPXZIQL-UHFFFAOYSA-N
Compound name
N-[2-[4-[[3-(tert-butylamino)-6-fluoropyridin-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

516.2319 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23918 221.2
[M+Na]+ 539.22112 225.4
[M-H]- 515.22462 226.5
[M+NH4]+ 534.26572 225.5
[M+K]+ 555.19506 220.1
[M+H-H2O]+ 499.22916 211.0
[M+HCOO]- 561.23010 229.8
[M+CH3COO]- 575.24575 249.9
[M+Na-2H]- 537.20657 222.5
[M]+ 516.23135 221.0
[M]- 516.23245 221.0
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.