CID 25349

4734-11-6

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2SC(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H22N2OS/c1-20(2)13-8-14-21-16-11-6-7-12-17(16)23-18(19(21)22)15-9-4-3-5-10-15/h3-7,9-12,18H,8,13-14H2,1-2H3
InChIKey
SKAJFMWVHRLESA-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-2-phenyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 175.9
[M+Na]+ 349.13452 182.1
[M-H]- 325.13802 182.6
[M+NH4]+ 344.17912 190.4
[M+K]+ 365.10846 177.0
[M+H-H2O]+ 309.14256 166.7
[M+HCOO]- 371.14350 191.0
[M+CH3COO]- 385.15915 214.4
[M+Na-2H]- 347.11997 177.8
[M]+ 326.14475 177.7
[M]- 326.14585 177.7
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.