CID 366133

Nsc634420

Structural Information

Molecular Formula
C22H26N2O3S
SMILES
CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O
InChI
InChI=1S/C22H26N2O3S/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)28(19)27/h6-12,14,19H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKey
KVDDCNDTBYRYTC-UHFFFAOYSA-N
Compound name
N-(2-butan-2-yl-6-ethylphenyl)-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

398.1664 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17368 194.1
[M+Na]+ 421.15562 199.4
[M-H]- 397.15912 198.1
[M+NH4]+ 416.20022 204.3
[M+K]+ 437.12956 192.9
[M+H-H2O]+ 381.16366 185.5
[M+HCOO]- 443.16460 204.6
[M+CH3COO]- 457.18025 224.3
[M+Na-2H]- 419.14107 191.8
[M]+ 398.16585 195.0
[M]- 398.16695 195.0
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.