CID 3055246

Brn 6253023

Structural Information

Molecular Formula
C23H24F3N5O3S
SMILES
CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F
InChI
InChI=1S/C23H24F3N5O3S/c1-29(2)35(33,34)31-13-11-30(12-14-31)22(32)16-3-6-18(7-4-16)28-20-9-10-27-21-15-17(23(24,25)26)5-8-19(20)21/h3-10,15H,11-14H2,1-2H3,(H,27,28)
InChIKey
SUQWLSDRZTXODO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

507.15518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.16246 205.4
[M+Na]+ 530.14440 212.8
[M+NH4]+ 525.18900 207.7
[M+K]+ 546.11834 207.6
[M-H]- 506.14790 204.6
[M+Na-2H]- 528.12985 210.4
[M]+ 507.15463 206.2
[M]- 507.15573 206.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe