CID 462962

Bdbm1955

Structural Information

Molecular Formula
C25H32N6O3S
SMILES
CC1(CC1)NC2=C(N=CC=C2)N(C)C3CCN(CC3)C(=O)C4=CC5=C(N4)C=CC(=C5)NS(=O)(=O)C
InChI
InChI=1S/C25H32N6O3S/c1-25(10-11-25)28-21-5-4-12-26-23(21)30(2)19-8-13-31(14-9-19)24(32)22-16-17-15-18(29-35(3,33)34)6-7-20(17)27-22/h4-7,12,15-16,19,27-29H,8-11,13-14H2,1-3H3
InChIKey
FCPCXQILQCXUHL-UHFFFAOYSA-N
Compound name
N-[2-[4-[methyl-[3-[(1-methylcyclopropyl)amino]pyridin-2-yl]amino]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 210.0
[M+Na]+ 519.21487 215.7
[M-H]- 495.21837 219.0
[M+NH4]+ 514.25947 212.3
[M+K]+ 535.18881 209.6
[M+H-H2O]+ 479.22291 202.2
[M+HCOO]- 541.22385 222.1
[M+CH3COO]- 555.23950 216.2
[M+Na-2H]- 517.20032 212.9
[M]+ 496.22510 212.7
[M]- 496.22620 212.7
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.