CID 384764

Nsc675200

Structural Information

Molecular Formula
C19H21F6N5O3S
SMILES
CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C
InChI
InChI=1S/C19H21F6N5O3S/c1-4-5-15(31)29-17(18(20,21)22,19(23,24)25)28-13-6-8-14(9-7-13)34(32,33)30-16-26-11(2)10-12(3)27-16/h6-10,28H,4-5H2,1-3H3,(H,29,31)(H,26,27,30)
InChIKey
HJTYGWVWKUELMH-UHFFFAOYSA-N
Compound name
N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.12695 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.13423 211.3
[M+Na]+ 536.11617 217.1
[M-H]- 512.11967 207.6
[M+NH4]+ 531.16077 214.3
[M+K]+ 552.09011 211.1
[M+H-H2O]+ 496.12421 197.2
[M+HCOO]- 558.12515 216.6
[M+CH3COO]- 572.14080 244.9
[M+Na-2H]- 534.10162 215.0
[M]+ 513.12640 206.0
[M]- 513.12750 206.0
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.