CID 3074403

157023-84-2

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CN(C)CCCN1C(=O)C2=C(C=N1)NC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C15H18N4O3S/c1-18(2)8-5-9-19-15(20)14-12(10-16-19)17-11-6-3-4-7-13(11)23(14,21)22/h3-4,6-7,10,17H,5,8-9H2,1-2H3
InChIKey
XXNASZJSFQHWRV-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10995 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11723 174.0
[M+Na]+ 357.09917 187.1
[M+NH4]+ 352.14377 181.8
[M+K]+ 373.07311 177.1
[M-H]- 333.10267 175.0
[M+Na-2H]- 355.08462 179.8
[M]+ 334.10940 176.6
[M]- 334.11050 176.6
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.