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 172.4
[M+Na]+ 357.09917 182.8
[M-H]- 333.10267 174.0
[M+NH4]+ 352.14377 186.6
[M+K]+ 373.07311 177.6
[M+H-H2O]+ 317.10721 164.1
[M+HCOO]- 379.10815 185.1
[M+CH3COO]- 393.12380 210.9
[M+Na-2H]- 355.08462 178.8
[M]+ 334.10940 177.2
[M]- 334.11050 177.2
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.