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]+ 327.152576 175.9
[M+Na]+ 349.134518 182.1
[M-H]- 325.138024 182.6
[M+NH4]+ 344.179123 190.4
[M+K]+ 365.108458 177.0
[M+H-H2O]+ 309.142560 166.7
[M+HCOO]- 371.143501 191.0
[M+CH3COO]- 385.159151 214.4
[M+Na-2H]- 347.119966 177.8
[M]+ 326.14475142 177.7
[M]- 326.14584858 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.