CID 308408

37029-01-9

Structural Information

Molecular Formula
C21H15N3O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3
InChI
InChI=1S/C21H15N3O6S/c1-13-6-9-15(10-7-13)31(28,29)23-19-5-3-2-4-16(19)20-22-18-11-8-14(24(26)27)12-17(18)21(25)30-20/h2-12,23H,1H3
InChIKey
PYLYZXBDFSKPBD-UHFFFAOYSA-N
Compound name
4-methyl-N-[2-(6-nitro-4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.06815 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07543 198.6
[M+Na]+ 460.05737 205.5
[M-H]- 436.06087 209.0
[M+NH4]+ 455.10197 204.5
[M+K]+ 476.03131 197.1
[M+H-H2O]+ 420.06541 192.1
[M+HCOO]- 482.06635 215.4
[M+CH3COO]- 496.08200 222.5
[M+Na-2H]- 458.04282 208.0
[M]+ 437.06760 201.1
[M]- 437.06870 201.1
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.