CID 365373

Nsc632959

Structural Information

Molecular Formula
C22H26N2O4S
SMILES
CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C22H26N2O4S/c1-4-14(3)16-10-8-9-15(5-2)21(16)24-20(25)13-19-22(26)23-17-11-6-7-12-18(17)29(19,27)28/h6-12,14,19H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
RTYTZKFPQZDHRQ-UHFFFAOYSA-N
Compound name
N-(2-butan-2-yl-6-ethylphenyl)-2-(1,1,3-trioxo-4H-1lambda6,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.16132 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16860 195.6
[M+Na]+ 437.15054 201.8
[M-H]- 413.15404 199.7
[M+NH4]+ 432.19514 207.0
[M+K]+ 453.12448 196.0
[M+H-H2O]+ 397.15858 187.5
[M+HCOO]- 459.15952 206.5
[M+CH3COO]- 473.17517 225.4
[M+Na-2H]- 435.13599 195.2
[M]+ 414.16077 197.7
[M]- 414.16187 197.7
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.