CID 366113

Nsc634400

Structural Information

Molecular Formula
C17H15ClN2O4S
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C17H15ClN2O4S/c1-10-11(18)5-4-7-12(10)19-16(21)9-15-17(22)20-13-6-2-3-8-14(13)25(15,23)24/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)
InChIKey
JBDCHLDQUYNEHW-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-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

378.0441 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05138 179.6
[M+Na]+ 401.03332 189.3
[M-H]- 377.03682 184.9
[M+NH4]+ 396.07792 193.8
[M+K]+ 417.00726 182.4
[M+H-H2O]+ 361.04136 173.4
[M+HCOO]- 423.04230 189.0
[M+CH3COO]- 437.05795 213.3
[M+Na-2H]- 399.01877 182.4
[M]+ 378.04355 183.0
[M]- 378.04465 183.0
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.