CID 360691

Nsc623027

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C21H24N2O3S/c1-13-8-7-9-14(21(2,3)4)19(13)23-18(24)12-17-20(25)22-15-10-5-6-11-16(15)27(17)26/h5-11,17H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey
NGHGZADNERPURJ-UHFFFAOYSA-N
Compound name
N-(2-tert-butyl-6-methylphenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15076 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 191.2
[M+Na]+ 407.13998 197.7
[M-H]- 383.14348 195.7
[M+NH4]+ 402.18458 202.3
[M+K]+ 423.11392 191.5
[M+H-H2O]+ 367.14802 183.3
[M+HCOO]- 429.14896 201.6
[M+CH3COO]- 443.16461 220.2
[M+Na-2H]- 405.12543 191.5
[M]+ 384.15021 191.8
[M]- 384.15131 191.8
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.