CID 10001591

223784-75-6

Structural Information

Molecular Formula
C16H12F2N4O3S2
SMILES
C1=CC(=C(C(=C1)F)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F
InChI
InChI=1S/C16H12F2N4O3S2/c17-10-2-1-3-11(18)12(10)13(23)14-15(19)22-16(26-14)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,22)(H2,20,24,25)
InChIKey
BWWQFAUYHCRZKB-UHFFFAOYSA-N
Compound name
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

410.0319 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03918 187.5
[M+Na]+ 433.02112 196.6
[M-H]- 409.02462 192.9
[M+NH4]+ 428.06572 197.7
[M+K]+ 448.99506 188.6
[M+H-H2O]+ 393.02916 177.9
[M+HCOO]- 455.03010 199.4
[M+CH3COO]- 469.04575 225.0
[M+Na-2H]- 431.00657 186.8
[M]+ 410.03135 186.3
[M]- 410.03245 186.3
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