CID 510128

7h-benzothiazolo[6,5-h]pyrrolo[1,2,3-de]quinoxalin-7-one, 2,3-dihydro-

Structural Information

Molecular Formula
C15H9N3OS
SMILES
C1CN2C=CC3=C2C(=N1)C4=CC5=C(C=C4C3=O)SC=N5
InChI
InChI=1S/C15H9N3OS/c19-15-8-1-3-18-4-2-16-13(14(8)18)9-5-11-12(6-10(9)15)20-7-17-11/h1,3,5-7H,2,4H2
InChIKey
LTGGLSGDWYCSBF-UHFFFAOYSA-N
Compound name
7-thia-5,15,18-triazapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),5,9,12(19),13-heptaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.04663 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05391 159.1
[M+Na]+ 302.03585 172.8
[M-H]- 278.03935 163.4
[M+NH4]+ 297.08045 180.3
[M+K]+ 318.00979 167.0
[M+H-H2O]+ 262.04389 152.8
[M+HCOO]- 324.04483 173.1
[M+CH3COO]- 338.06048 172.0
[M+Na-2H]- 300.02130 163.7
[M]+ 279.04608 165.3
[M]- 279.04718 165.3
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.