CID 365369

Nsc632955

Structural Information

Molecular Formula
C21H24N2O2S
SMILES
CCC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C21H24N2O2S/c1-4-14-8-7-9-15(13(2)3)20(14)23-19(24)12-18-21(25)22-16-10-5-6-11-17(16)26-18/h5-11,13,18H,4,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKey
OPHFWKOHMVOISO-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-propan-2-ylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.15585 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16313 186.8
[M+Na]+ 391.14507 191.9
[M-H]- 367.14857 190.8
[M+NH4]+ 386.18967 198.3
[M+K]+ 407.11901 185.4
[M+H-H2O]+ 351.15311 178.4
[M+HCOO]- 413.15405 197.5
[M+CH3COO]- 427.16970 218.4
[M+Na-2H]- 389.13052 185.6
[M]+ 368.15530 186.3
[M]- 368.15640 186.3
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

patents stripe