CID 135906658

12h-1,2,4-triazolo(4',3':1,6)pyridazino(4,5-b)(1,4)benzothiazine, 3-((2-morpholinoethyl)thio)-

Structural Information

Molecular Formula
C17H18N6OS2
SMILES
C1COCCN1CCSC2=NN=C3N2N=CC4=C3NC5=CC=CC=C5S4
InChI
InChI=1S/C17H18N6OS2/c1-2-4-13-12(3-1)19-15-14(26-13)11-18-23-16(15)20-21-17(23)25-10-7-22-5-8-24-9-6-22/h1-4,11,19H,5-10H2
InChIKey
QCDJQRYVLUTWFI-UHFFFAOYSA-N
Compound name
4-[2-(2-thia-9,12,13,15,16-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,11,13,16-heptaen-14-ylsulfanyl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09836 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10564 180.9
[M+Na]+ 409.08758 195.8
[M+NH4]+ 404.13218 188.9
[M+K]+ 425.06152 186.2
[M-H]- 385.09108 184.9
[M+Na-2H]- 407.07303 185.3
[M]+ 386.09781 185.1
[M]- 386.09891 185.1
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.