CID 366128

Nsc634415

Structural Information

Molecular Formula
C20H22N2O4S
SMILES
CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C20H22N2O4S/c1-12(2)14-8-6-7-13(3)19(14)22-18(23)11-17-20(24)21-15-9-4-5-10-16(15)27(17,25)26/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKey
WSAOLIOILJZLJC-UHFFFAOYSA-N
Compound name
N-(2-methyl-6-propan-2-ylphenyl)-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

386.13004 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13732 187.2
[M+Na]+ 409.11926 194.3
[M-H]- 385.12276 191.7
[M+NH4]+ 404.16386 199.8
[M+K]+ 425.09320 188.9
[M+H-H2O]+ 369.12730 179.5
[M+HCOO]- 431.12824 198.7
[M+CH3COO]- 445.14389 219.6
[M+Na-2H]- 407.10471 187.7
[M]+ 386.12949 188.7
[M]- 386.13059 188.7
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.