CID 2876418

N-(2-cyanophenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetamide

Structural Information

Molecular Formula
C18H12F3N3O2S
SMILES
C1=CC=C(C(=C1)C#N)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H12F3N3O2S/c19-18(20,21)11-5-6-14-13(7-11)24-17(26)15(27-14)8-16(25)23-12-4-2-1-3-10(12)9-22/h1-7,15H,8H2,(H,23,25)(H,24,26)
InChIKey
QVDBAZSMFIPLAN-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

391.06024 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.067516 191.5
[M+Na]+ 414.049458 200.7
[M-H]- 390.052964 191.1
[M+NH4]+ 409.094063 200.6
[M+K]+ 430.023398 192.4
[M+H-H2O]+ 374.057500 175.1
[M+HCOO]- 436.058441 196.9
[M+CH3COO]- 450.074091 226.0
[M+Na-2H]- 412.034906 191.2
[M]+ 391.05969142 181.8
[M]- 391.06078858 181.8
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