CID 24744336

945966-46-1

Structural Information

Molecular Formula
C17H17FN2O4S
SMILES
CC1(C(=O)N(C2=C(O1)C=C(C=C2)NS(=O)(=O)C)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3
InChIKey
AZNHWXAFPBYFGH-UHFFFAOYSA-N
Compound name
N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

510
Patents

364.0893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09658 180.2
[M+Na]+ 387.07852 190.2
[M-H]- 363.08202 186.2
[M+NH4]+ 382.12312 193.5
[M+K]+ 403.05246 186.6
[M+H-H2O]+ 347.08656 171.7
[M+HCOO]- 409.08750 192.9
[M+CH3COO]- 423.10315 215.7
[M+Na-2H]- 385.06397 185.5
[M]+ 364.08875 183.4
[M]- 364.08985 183.4
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