CID 366863

Nsc635842

Structural Information

Molecular Formula
C21H24N2O2S
SMILES
CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C21H24N2O2S/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)26-17/h5-11,17H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKey
PPTNRAQCNBPYMS-UHFFFAOYSA-N
Compound name
N-(2-tert-butyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15585 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16313 188.2
[M+Na]+ 391.14507 193.9
[M-H]- 367.14857 192.4
[M+NH4]+ 386.18967 199.9
[M+K]+ 407.11901 187.6
[M+H-H2O]+ 351.15311 180.2
[M+HCOO]- 413.15405 198.4
[M+CH3COO]- 427.16970 217.3
[M+Na-2H]- 389.13052 189.0
[M]+ 368.15530 187.7
[M]- 368.15640 187.7
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.